2-[5-(2-carboxyphenyl)sulfanylpentylsulfanyl]benzoic acid

Systemtic Name: 2-[5-(2-carboxyphenyl)sulfanylpentylsulfanyl]benzoic acid Openeye Name: 2-[5-(2-carboxyphenyl)sulfanylpentylsulfanyl]benzoic acid CAS Name: 2-[5-[(2-carboxyphenyl)thio]pentylthio]benzoic acid IUPAC Name: 2-[5-(2-carboxyphenyl)sulfanylpentylsulfanyl]benzoic acid Traditional Name: 2-[5-[(2-carboxyphenyl)thio]pentylthio]benzoic acid Formula: C19H20O4S2 MolecularWeight: 376.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20O4S2/c20-18(21)14-8-2-4-10-16(14)24-12-6-1-7-13-25-17-11-5-3-9-15(17)19(22)23/h2-5,8-11H,1,6-7,12-13H2,(H,20,21)(H,22,23)