9H-fluoren-9-ylmethyl N-[2-[(2-nitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]sulfanylethyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[2-[(2-nitrophenyl)-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]sulfanylethyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[2-[(2-hydroxy-6-oxo-cyclohexen-1-yl)-(2-nitrophenyl)methyl]sulfanylethyl]carbamate CAS Name: N-[2-[[(2-hydroxy-6-oxo-1-cyclohexenyl)-(2-nitrophenyl)methyl]thio]ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[(2-hydroxy-6-oxocyclohexen-1-yl)-(2-nitrophenyl)methyl]sulfanylethyl]carbamate Traditional Name: N-[2-[[(2-hydroxy-6-keto-cyclohexen-1-yl)-(2-nitrophenyl)methyl]thio]ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C(C2=CC=CC=C2[N+](=O)[O-])SCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O

Isomeric SMILES

C1CC(=C(C(=O)C1)C(C2=CC=CC=C2[N+](=O)[O-])SCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O

InChI

InChI=1S/C30H28N2O6S/c33-26-14-7-15-27(34)28(26)29(23-12-5-6-13-25(23)32(36)37)39-17-16-31-30(35)38-18-24-21-10-3-1-8-19(21)20-9-2-4-11-22(20)24/h1-6,8-13,24,29,33H,7,14-18H2,(H,31,35)