sodium 3-(6-tert-butyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonate

Systemtic Name: sodium 3-(6-tert-butyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonate Openeye Name: sodium 3-(6-tert-butyl-6-hydroxy-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonate CAS Name: sodium 3-[(6-tert-butyl-6-hydroxy-1-cyclohexa-2,4-dienyl)oxy]-1-propanesulfonate IUPAC Name: sodium 3-(6-tert-butyl-6-hydroxycyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonate Traditional Name: sodium 3-(6-tert-butyl-6-hydroxy-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonate Formula: C13H21NaO5S MolecularWeight: 312.35761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C=CC=CC1OCCCS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C)C1(C=CC=CC1OCCCS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C13H22O5S.Na/c1-12(2,3)13(14)8-5-4-7-11(13)18-9-6-10-19(15,16)17;/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,15,16,17);/q;+1/p-1