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

Systemtic Name: 3-(6-tert-butyl-6-oxidanyl-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(6-tert-butyl-6-hydroxy-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(6-tert-butyl-6-hydroxy-1-cyclohexa-2,4-dienyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(6-tert-butyl-6-hydroxycyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(6-tert-butyl-6-hydroxy-cyclohexa-2,4-dien-1-yl)oxypropane-1-sulfonic acid Formula: C13H22O5S MolecularWeight: 290.37578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(C=CC=CC1OCCCS(=O)(=O)O)O

Isomeric SMILES

CC(C)(C)C1(C=CC=CC1OCCCS(=O)(=O)O)O

InChI

InChI=1S/C13H22O5S/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)