4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylethanamide

Systemtic Name: 4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylethanamide Openeye Name: 4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylacetamide CAS Name: 4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylacetamide IUPAC Name: 4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylacetamide Traditional Name: 4-(4-carboxyphenyl)sulfinylbenzoic acid; N-methylacetamide Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC.C1=CC(=CC=C1C(=O)O)S(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)NC.C1=CC(=CC=C1C(=O)O)S(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H10O5S.C3H7NO/c15-13(16)9-1-5-11(6-2-9)20(19)12-7-3-10(4-8-12)14(17)18;1-3(5)4-2/h1-8H,(H,15,16)(H,17,18);1-2H3,(H,4,5)