8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid

Systemtic Name: 8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid Openeye Name: 8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid CAS Name: 8-(carboxymethylthio)-1-naphthalenecarboxylic acid IUPAC Name: 8-(carboxymethylsulfanyl)naphthalene-1-carboxylic acid Traditional Name: 8-(carboxymethylthio)-1-naphthoic acid Formula: C13H10O4S MolecularWeight: 262.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H10O4S/c14-11(15)7-18-10-6-2-4-8-3-1-5-9(12(8)10)13(16)17/h1-6H,7H2,(H,14,15)(H,16,17)