2-[4-(2-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid

Systemtic Name: 2-[4-(2-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid Openeye Name: 2-[4-(2-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid CAS Name: 2-[4-[(2-carboxyphenyl)thio]butylthio]benzoic acid IUPAC Name: 2-[4-(2-carboxyphenyl)sulfanylbutylsulfanyl]benzoic acid Traditional Name: 2-[4-[(2-carboxyphenyl)thio]butylthio]benzoic acid Formula: C18H18O4S2 MolecularWeight: 362.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18O4S2/c19-17(20)13-7-1-3-9-15(13)23-11-5-6-12-24-16-10-4-2-8-14(16)18(21)22/h1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22)