2-butyl-6-(5-butyl-6-oxidanyl-6-sulfo-cyclohexa-2,4-dien-1-yl)benzenesulfonic acid

Systemtic Name: 2-butyl-6-(5-butyl-6-oxidanyl-6-sulfo-cyclohexa-2,4-dien-1-yl)benzenesulfonic acid Openeye Name: 2-butyl-6-(5-butyl-6-hydroxy-6-sulfo-cyclohexa-2,4-dien-1-yl)benzenesulfonic acid CAS Name: 2-butyl-6-(5-butyl-6-hydroxy-6-sulfo-1-cyclohexa-2,4-dienyl)benzenesulfonic acid IUPAC Name: 2-butyl-6-(5-butyl-6-hydroxy-6-sulfocyclohexa-2,4-dien-1-yl)benzenesulfonic acid Traditional Name: 2-butyl-6-(5-butyl-6-hydroxy-6-sulfo-cyclohexa-2,4-dien-1-yl)besylic acid Formula: C20H28O7S2 MolecularWeight: 444.56212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1S(=O)(=O)O)C2C=CC=C(C2(O)S(=O)(=O)O)CCCC

Isomeric SMILES

CCCCC1=CC=CC(=C1S(=O)(=O)O)C2C=CC=C(C2(O)S(=O)(=O)O)CCCC

InChI

InChI=1S/C20H28O7S2/c1-3-5-9-15-10-7-13-17(19(15)28(22,23)24)18-14-8-12-16(11-6-4-2)20(18,21)29(25,26)27/h7-8,10,12-14,18,21H,3-6,9,11H2,1-2H3,(H,22,23,24)(H,25,26,27)