6-methoxyquinoline; 2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 6-methoxyquinoline; 2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 2-hydroxy-5-sulfo-benzoic acid; 6-methoxyquinoline CAS Name: 2-hydroxy-5-sulfobenzoic acid; 6-methoxyquinoline IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; 6-methoxyquinoline Traditional Name: 2-hydroxy-5-sulfo-benzoic acid; 6-methoxyquinoline Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CC=C2.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=CC=C2.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C10H9NO.C7H6O6S/c1-12-9-4-5-10-8(7-9)3-2-6-11-10;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h2-7H,1H3;1-3,8H,(H,9,10)(H,11,12,13)