sodium 4-(2-methyloctanoyloxy)benzenesulfonate

Systemtic Name: sodium 4-(2-methyloctanoyloxy)benzenesulfonate Openeye Name: sodium 4-(2-methyloctanoyloxy)benzenesulfonate CAS Name: sodium 4-(2-methyl-1-oxooctoxy)benzenesulfonate IUPAC Name: sodium 4-(2-methyloctanoyloxy)benzenesulfonate Traditional Name: sodium 4-(2-methyloctanoyloxy)besylate Formula: C15H21NaO5S MolecularWeight: 336.37901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H22O5S.Na/c1-3-4-5-6-7-12(2)15(16)20-13-8-10-14(11-9-13)21(17,18)19;/h8-12H,3-7H2,1-2H3,(H,17,18,19);/q;+1/p-1