2-(4-methoxyphenyl)-5-oxidanylidene-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)-5-oxidanylidene-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid Openeye Name: 2-(4-methoxyphenyl)-5-oxo-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid CAS Name: 2-(4-methoxyphenyl)-5-oxo-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid IUPAC Name: 2-(4-methoxyphenyl)-5-oxo-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid Traditional Name: 5-keto-2-(4-methoxyphenyl)-7-sulfo-1H-benzo[h]quinoline-4-carboxylic acid Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C3C(=O)C=C4C(=C3N2)C=CC=C4S(=O)(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C3C(=O)C=C4C(=C3N2)C=CC=C4S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H15NO7S/c1-29-12-7-5-11(6-8-12)16-9-15(21(24)25)19-17(23)10-14-13(20(19)22-16)3-2-4-18(14)30(26,27)28/h2-10,22H,1H3,(H,24,25)(H,26,27,28)