2-[6-(4-carboxyphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(4-carboxyphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(4-carboxyphenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(4-carboxyphenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(4-carboxyphenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(4-carboxyphenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C18H24O7S MolecularWeight: 384.44396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCSCC(CC(=O)O)(C(=O)O)O)C(=O)O

InChI

InChI=1S/C18H24O7S/c19-15(20)11-18(25,17(23)24)12-26-10-4-2-1-3-5-13-6-8-14(9-7-13)16(21)22/h6-9,25H,1-5,10-12H2,(H,19,20)(H,21,22)(H,23,24)