5-acetamido-3-(2-carboxyphenyl)sulfanyl-phthalic acid

Systemtic Name: 5-acetamido-3-(2-carboxyphenyl)sulfanyl-phthalic acid Openeye Name: 5-acetamido-3-(2-carboxyphenyl)sulfanyl-phthalic acid CAS Name: 5-acetamido-3-[(2-carboxyphenyl)thio]phthalic acid IUPAC Name: 5-acetamido-3-(2-carboxyphenyl)sulfanylphthalic acid Traditional Name: 5-acetamido-3-[(2-carboxyphenyl)thio]phthalic acid Formula: C17H13NO7S MolecularWeight: 375.35262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1)C(=O)O)C(=O)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H13NO7S/c1-8(19)18-9-6-11(16(22)23)14(17(24)25)13(7-9)26-12-5-3-2-4-10(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)