2-[4-[2-(3-oxidanylidenebutylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonate

Systemtic Name: 2-[4-[2-(3-oxidanylidenebutylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonate Openeye Name: 2-[4-[2-(3-oxobutylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonate CAS Name: 2-[4-[2-(3-oxobutylthio)ethylsulfonyl]phenyl]ethanesulfonate IUPAC Name: 2-[4-[2-(3-oxobutylsulfanyl)ethylsulfonyl]phenyl]ethanesulfonate Traditional Name: 2-[4-[2-(3-ketobutylthio)ethylsulfonyl]phenyl]ethanesulfonate Formula: C14H19O6S3- MolecularWeight: 379.49206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSCCS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)CCSCCS(=O)(=O)C1=CC=C(C=C1)CCS(=O)(=O)[O-]

InChI

InChI=1S/C14H20O6S3/c1-12(15)6-8-21-9-11-22(16,17)14-4-2-13(3-5-14)7-10-23(18,19)20/h2-5H,6-11H2,1H3,(H,18,19,20)/p-1