sodium 6-(2-butylphenyl)-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: sodium 6-(2-butylphenyl)-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: sodium 6-(2-butylphenyl)-1-hydroxy-cyclohexa-2,4-diene-1-sulfonate CAS Name: sodium 6-(2-butylphenyl)-1-hydroxy-1-cyclohexa-2,4-dienesulfonate IUPAC Name: sodium 6-(2-butylphenyl)-1-hydroxycyclohexa-2,4-diene-1-sulfonate Traditional Name: sodium 6-(2-butylphenyl)-1-hydroxy-cyclohexa-2,4-diene-1-sulfonate Formula: C16H19NaO4S MolecularWeight: 330.37443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2C=CC=CC2(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=CC=C1C2C=CC=CC2(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H20O4S.Na/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);/q;+1/p-1