6,6-dimethoxy-3-(4-nitrophenyl)sulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 6,6-dimethoxy-3-(4-nitrophenyl)sulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 6,6-dimethoxy-3-(4-nitrophenyl)sulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 6,6-dimethoxy-3-[(4-nitrophenyl)thio]-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 6,6-dimethoxy-3-(4-nitrophenyl)sulfanylbicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 6,6-dimethoxy-3-[(4-nitrophenyl)thio]bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC2C1C(=C(C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1(CC2C1C(=C(C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C16H17NO6S/c1-22-16(23-2)8-9-7-12(13(14(9)16)15(18)19)24-11-5-3-10(4-6-11)17(20)21/h3-6,9,14H,7-8H2,1-2H3,(H,18,19)