2-[8-(2-carboxyphenyl)sulfanyloctylsulfanyl]benzoic acid

Systemtic Name: 2-[8-(2-carboxyphenyl)sulfanyloctylsulfanyl]benzoic acid Openeye Name: 2-[8-(2-carboxyphenyl)sulfanyloctylsulfanyl]benzoic acid CAS Name: 2-[8-[(2-carboxyphenyl)thio]octylthio]benzoic acid IUPAC Name: 2-[8-(2-carboxyphenyl)sulfanyloctylsulfanyl]benzoic acid Traditional Name: 2-[8-[(2-carboxyphenyl)thio]octylthio]benzoic acid Formula: C22H26O4S2 MolecularWeight: 418.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCCCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCCCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H26O4S2/c23-21(24)17-11-5-7-13-19(17)27-15-9-3-1-2-4-10-16-28-20-14-8-6-12-18(20)22(25)26/h5-8,11-14H,1-4,9-10,15-16H2,(H,23,24)(H,25,26)