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

Systemtic Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl butanoate Openeye Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid [(6S)-8-keto-1,2,3-trimethoxy-9-(methylthio)-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl ester Formula: C24H28O6S MolecularWeight: 444.54052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1CC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

Isomeric SMILES

CCCC(=O)OC[C@H]1CC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC

InChI

InChI=1S/C24H28O6S/c1-6-7-21(26)30-13-15-10-14-11-19(27-2)23(28-3)24(29-4)22(14)16-8-9-20(31-5)18(25)12-17(15)16/h8-9,11-12,15H,6-7,10,13H2,1-5H3/t15-/m1/s1