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

Systemtic Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-nitrobenzoate Openeye Name: [(6S)-1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(6S)-8-keto-1,2,3-trimethoxy-9-(methylthio)-5,6-dihydrocyclohepta[a]naphthalen-6-yl]methyl ester Formula: C27H25NO8S MolecularWeight: 523.5543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C[C@@H](C3=CC(=O)C(=CC=C32)SC)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C27H25NO8S/c1-33-22-12-16-11-17(14-36-27(30)15-5-7-18(8-6-15)28(31)32)20-13-21(29)23(37-4)10-9-19(20)24(16)26(35-3)25(22)34-2/h5-10,12-13,17H,11,14H2,1-4H3/t17-/m1/s1