[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethoxy]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethoxy]-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-(6-sulfanylidene-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: [2-keto-2-(4-methyl-3-nitro-phenyl)ethoxy]-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C16H12NO5S- MolecularWeight: 330.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=C2C=CC=CC2=S)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=C2C=CC=CC2=S)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-10-6-7-11(8-13(10)17(20)21)14(18)9-22-16(19)12-4-2-3-5-15(12)23/h2-8,19H,9H2,1H3/p-1