4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(3-iodoanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(3-iodoanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(3-iodoanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(3-iodoanilino)-2-keto-ethyl]thio]benzoic acid Formula: C15H12INO3S MolecularWeight: 413.23015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H12INO3S/c16-11-2-1-3-12(8-11)17-14(18)9-21-13-6-4-10(5-7-13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)