methyl 2-[8-[6-(2-methoxy-2-oxidanylidene-ethyl)-7-octanoyl-1,8-bis(oxidanyl)-3,4-bis(oxidanylidene)naphthalen-2-yl]-3-octanoyl-4,5,7-tris(oxidanyl)naphthalen-2-yl]ethanoate

Systemtic Name: methyl 2-[8-[6-(2-methoxy-2-oxidanylidene-ethyl)-7-octanoyl-1,8-bis(oxidanyl)-3,4-bis(oxidanylidene)naphthalen-2-yl]-3-octanoyl-4,5,7-tris(oxidanyl)naphthalen-2-yl]ethanoate Openeye Name: methyl 2-[8-[1,8-dihydroxy-6-(2-methoxy-2-oxo-ethyl)-7-octanoyl-3,4-dioxo-2-naphthyl]-4,5,7-trihydroxy-3-octanoyl-2-naphthyl]acetate CAS Name: 2-[8-[1,8-dihydroxy-6-(2-methoxy-2-oxoethyl)-3,4-dioxo-7-(1-oxooctyl)-2-naphthalenyl]-4,5,7-trihydroxy-3-(1-oxooctyl)-2-naphthalenyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[1,8-dihydroxy-6-(2-methoxy-2-oxoethyl)-7-octanoyl-3,4-dioxonaphthalen-2-yl]-4,5,7-trihydroxy-3-octanoylnaphthalen-2-yl]acetate Traditional Name: 2-[3-caprylyl-8-[7-caprylyl-1,8-dihydroxy-3,4-diketo-6-(2-keto-2-methoxy-ethyl)-2-naphthyl]-4,5,7-trihydroxy-2-naphthyl]acetic acid methyl ester Formula: C42H48O13 MolecularWeight: 760.82272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C(C=C2C(=C1O)C(=CC(=C2C3=C(C4=C(C(=C(C=C4C(=O)C3=O)CC(=O)OC)C(=O)CCCCCCC)O)O)O)O)CC(=O)OC

Isomeric SMILES

CCCCCCCC(=O)C1=C(C=C2C(=C1O)C(=CC(=C2C3=C(C4=C(C(=C(C=C4C(=O)C3=O)CC(=O)OC)C(=O)CCCCCCC)O)O)O)O)CC(=O)OC

InChI

InChI=1S/C42H48O13/c1-5-7-9-11-13-15-26(43)32-22(19-30(47)54-3)17-24-34(28(45)21-29(46)35(24)39(32)50)37-41(52)36-25(38(49)42(37)53)18-23(20-31(48)55-4)33(40(36)51)27(44)16-14-12-10-8-6-2/h17-18,21,45-46,50-52H,5-16,19-20H2,1-4H3