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

Systemtic Name: 2-[6-(4-hydroxyphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[6-(4-hydroxyphenyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(4-hydroxyphenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-[6-(4-hydroxyphenyl)hexylsulfanylmethyl]butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(4-hydroxyphenyl)hexylthio]methyl]succinic acid Formula: C17H24O6S MolecularWeight: 356.43386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O6S/c18-14-8-6-13(7-9-14)5-3-1-2-4-10-24-12-17(23,16(21)22)11-15(19)20/h6-9,18,23H,1-5,10-12H2,(H,19,20)(H,21,22)