disodium O4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethoxy]-4-oxidanylidene-butanoyl]oxy-2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] O1-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] butanedioate

Systemtic Name: disodium O4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethoxy]-4-oxidanylidene-butanoyl]oxy-2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl] O1-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethyl] butanedioate Openeye Name: disodium O4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethoxy]-4-oxo-butanoyl]oxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] O1-[2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethyl] butanedioate CAS Name: disodium butanedioic acid O4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethoxy]-1,4-dioxobutoxy]-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-1-cyclohex-3-enyl] ester O1-[2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethyl] ester IUPAC Name: disodium 4-O-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethoxy]-4-oxobutanoyl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] 1-O-[2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] butanedioate Traditional Name: disodium succinic acid O4-[4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-[4-[2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethoxy]-4-keto-butanoyl]oxy-3-keto-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester O1-[2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethyl] ester Formula: C60H72Na2O20+2 MolecularWeight: 1159.18122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)CCC(=O)OCC(C2C(=O)C(=C(O2)O)O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC3=C(C(=O)C(CC3(C)C)OC(=O)CCC(=O)OCC(C4C(=O)C(=C(O4)O)O)O)C)C)C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)CCC(=O)OCC(O)C2OC(=C(C2=O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C(=O)C(CC3(C)C)OC(=O)CCC(=O)OCC(O)C4OC(=C(C4=O)O)O)C)\C)\C)/C)/C.[Na+].[Na+]

InChI

InChI=1S/C60H72O20.2Na/c1-33(17-13-19-35(3)21-23-39-37(5)49(67)43(29-59(39,7)8)77-47(65)27-25-45(63)75-31-41(61)55-51(69)53(71)57(73)79-55)15-11-12-16-34(2)18-14-20-36(4)22-24-40-38(6)50(68)44(30-60(40,9)10)78-48(66)28-26-46(64)76-32-42(62)56-52(70)54(72)58(74)80-56;;/h11-24,41-44,55-56,61-62,71-74H,25-32H2,1-10H3;;/q;2*+1/b12-11+,17-13+,18-14+,23-21+,24-22+,33-15+,34-16+,35-19+,36-20+;;