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

Systemtic Name: (4-nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxidanylidene-5,6-dihydrocyclohepta[a]naphthalen-6-yl)ethanoate Openeye Name: (4-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 (4-nitrophenyl) ester IUPAC Name: (4-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 (4-nitrophenyl) 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)CC(=O)OC4=CC=C(C=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=C(C=C4)[N+](=O)[O-])OC)OC

InChI

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