5-chloranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzoic acid; ethanedioic acid

Systemtic Name: 5-chloranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzoic acid; ethanedioic acid Openeye Name: 5-chloro-2-tetralin-6-ylsulfanyl-benzoic acid; oxalic acid CAS Name: 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-ylthio)benzoic acid; oxalic acid IUPAC Name: 5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzoic acid; oxalic acid Traditional Name: 5-chloro-2-(tetralin-6-ylthio)benzoic acid; oxalic acid Formula: C19H17ClO6S MolecularWeight: 408.85268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)SC3=C(C=C(C=C3)Cl)C(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)SC3=C(C=C(C=C3)Cl)C(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H15ClO2S.C2H2O4/c18-13-6-8-16(15(10-13)17(19)20)21-14-7-5-11-3-1-2-4-12(11)9-14;3-1(4)2(5)6/h5-10H,1-4H2,(H,19,20);(H,3,4)(H,5,6)