4-(2-carboxy-5-sulfanyl-pentyl)naphthalene-1-carboxylic acid

Systemtic Name: 4-(2-carboxy-5-sulfanyl-pentyl)naphthalene-1-carboxylic acid Openeye Name: 4-(2-carboxy-5-sulfanyl-pentyl)naphthalene-1-carboxylic acid CAS Name: 4-(2-carboxy-5-mercaptopentyl)-1-naphthalenecarboxylic acid IUPAC Name: 4-(2-carboxy-5-sulfanylpentyl)naphthalene-1-carboxylic acid Traditional Name: 4-(2-carboxy-5-mercapto-pentyl)-1-naphthoic acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2C(=O)O)CC(CCCS)C(=O)O

InChI

InChI=1S/C17H18O4S/c18-16(19)12(4-3-9-22)10-11-7-8-15(17(20)21)14-6-2-1-5-13(11)14/h1-2,5-8,12,22H,3-4,9-10H2,(H,18,19)(H,20,21)