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

Systemtic Name: (3-nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl)ethanoate Openeye Name: (3-nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate CAS Name: 2-[1,2,3-trimethoxy-9-(methylthio)-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl]acetic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate Traditional Name: 2-[8-keto-1,2,3-trimethoxy-9-(methylthio)-5,6-dihydrocyclohepta[a]naphthalen-6-yl]acetic acid (3-nitrophenyl) ester Formula: C27H25NO8S MolecularWeight: 523.5543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)[N+](=O)[O-])OC)OC

InChI

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