sodium 2-(7-methyloctanoyl)-6-oxidanyl-benzenesulfonate

Systemtic Name: sodium 2-(7-methyloctanoyl)-6-oxidanyl-benzenesulfonate Openeye Name: sodium 2-hydroxy-6-(7-methyloctanoyl)benzenesulfonate CAS Name: sodium 2-hydroxy-6-(7-methyl-1-oxooctyl)benzenesulfonate IUPAC Name: sodium 2-hydroxy-6-(7-methyloctanoyl)benzenesulfonate Traditional Name: sodium 2-hydroxy-6-(7-methyloctanoyl)besylate Formula: C15H21NaO5S MolecularWeight: 336.37901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S.Na/c1-11(2)7-4-3-5-9-13(16)12-8-6-10-14(17)15(12)21(18,19)20;/h6,8,10-11,17H,3-5,7,9H2,1-2H3,(H,18,19,20);/q;+1/p-1