[3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-(2-methyl-3-sulfanylidene-propanoyl)oxy-3-oxidanylidene-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-methyl-3-sulfanylidene-propanoate

Systemtic Name: [3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-(2-methyl-3-sulfanylidene-propanoyl)oxy-3-oxidanylidene-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-methyl-3-sulfanylidene-propanoate Openeye Name: [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-(2-methyl-3-thioxo-propanoyl)oxy-3-oxo-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-methyl-3-thioxo-propanoate CAS Name: 2-methyl-3-sulfanylidenepropanoic acid [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-(2-methyl-1-oxo-3-sulfanylidenepropoxy)-3-oxo-1-cyclohexenyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enyl] ester IUPAC Name: [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-4-(2-methyl-3-sulfanylidenepropanoyl)oxy-3-oxocyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-methyl-3-sulfanylidenepropanoate Traditional Name: 2-methyl-3-thioxo-propionic acid [2-keto-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3-keto-2,6,6-trimethyl-4-(2-methyl-3-thioxo-propanoyl)oxy-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C48H60O6S2 MolecularWeight: 797.1164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)C(C)C=S)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)C(C)C=S)C)C)C

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)C(C=S)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)OC(=O)C(C=S)C)C)\C)\C)/C)/C

InChI

InChI=1S/C48H60O6S2/c1-31(19-15-21-33(3)23-25-39-37(7)43(49)41(27-47(39,9)10)53-45(51)35(5)29-55)17-13-14-18-32(2)20-16-22-34(4)24-26-40-38(8)44(50)42(28-48(40,11)12)54-46(52)36(6)30-56/h13-26,29-30,35-36,41-42H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+