[(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-methoxybenzoate

Systemtic Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-methoxybenzoate Openeye Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(6S)-1,2,3-trimethoxy-9-(methylthio)-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl ester IUPAC Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(6S)-8-keto-1,2,3-trimethoxy-9-(methylthio)-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl ester Formula: C28H28O7S MolecularWeight: 508.58272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC2CC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC[C@H]2CC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC

InChI

InChI=1S/C28H28O7S/c1-31-19-8-6-16(7-9-19)28(30)35-15-18-12-17-13-23(32-2)26(33-3)27(34-4)25(17)20-10-11-24(36-5)22(29)14-21(18)20/h6-11,13-14,18H,12,15H2,1-5H3/t18-/m1/s1