6-(2-butylphenyl)-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 6-(2-butylphenyl)-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 6-(2-butylphenyl)-1-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 6-(2-butylphenyl)-1-hydroxy-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 6-(2-butylphenyl)-1-hydroxycyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 6-(2-butylphenyl)-1-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid Formula: C16H20O4S MolecularWeight: 308.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2C=CC=CC2(O)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1C2C=CC=CC2(O)S(=O)(=O)O

InChI

InChI=1S/C16H20O4S/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-16(15,17)21(18,19)20/h4-7,9-12,15,17H,2-3,8H2,1H3,(H,18,19,20)