2-[4-(2-butylsulfanylethylsulfonyl)phenyl]ethanesulfonate

Systemtic Name: 2-[4-(2-butylsulfanylethylsulfonyl)phenyl]ethanesulfonate Openeye Name: 2-[4-(2-butylsulfanylethylsulfonyl)phenyl]ethanesulfonate CAS Name: 2-[4-[2-(butylthio)ethylsulfonyl]phenyl]ethanesulfonate IUPAC Name: 2-[4-(2-butylsulfanylethylsulfonyl)phenyl]ethanesulfonate Traditional Name: 2-[4-[2-(butylthio)ethylsulfonyl]phenyl]ethanesulfonate Formula: C14H21O5S3- MolecularWeight: 365.50854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O5S3/c1-2-3-9-20-10-12-21(15,16)14-6-4-13(5-7-14)8-11-22(17,18)19/h4-7H,2-3,8-12H2,1H3,(H,17,18,19)/p-1