(1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl) benzoate

Systemtic Name: (1,2,3-trimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl) benzoate Openeye Name: (1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl) benzoate CAS Name: benzoic acid [1,2,3-trimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester IUPAC Name: (1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl) benzoate Traditional Name: benzoic acid [9-keto-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-7-yl] ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)OC(=O)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)OC(=O)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H26O6S/c1-30-22-14-17-10-12-21(33-27(29)16-8-6-5-7-9-16)19-15-20(28)23(34-4)13-11-18(19)24(17)26(32-3)25(22)31-2/h5-9,11,13-15,21H,10,12H2,1-4H3