2-[4-[2-(1-oxidanylpropylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonic acid

Systemtic Name: 2-[4-[2-(1-oxidanylpropylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonic acid Openeye Name: 2-[4-[2-(1-hydroxypropylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonic acid CAS Name: 2-[4-[2-(1-hydroxypropylthio)ethylsulfonyl]phenyl]ethanesulfonic acid IUPAC Name: 2-[4-[2-(1-hydroxypropylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonic acid Traditional Name: 2-[4-[2-(1-hydroxypropylthio)ethylsulfonyl]phenyl]ethanesulfonic acid Formula: C13H20O6S3 MolecularWeight: 368.4893

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Descriptors Computed from Structure

Canonical SMILES:

CCC(O)SCCS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)O

Isomeric SMILES

CCC(O)SCCS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)O

InChI

InChI=1S/C13H20O6S3/c1-2-13(14)20-8-10-21(15,16)12-5-3-11(4-6-12)7-9-22(17,18)19/h3-6,13-14H,2,7-10H2,1H3,(H,17,18,19)