sodium 4-(7-methylnonan-3-yl)benzenesulfonate

Systemtic Name: sodium 4-(7-methylnonan-3-yl)benzenesulfonate Openeye Name: sodium 4-(1-ethyl-5-methyl-heptyl)benzenesulfonate CAS Name: sodium 4-(7-methylnonan-3-yl)benzenesulfonate IUPAC Name: sodium 4-(7-methylnonan-3-yl)benzenesulfonate Traditional Name: sodium 4-(1-ethyl-5-methyl-heptyl)besylate Formula: C16H25NaO3S MolecularWeight: 320.42267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26O3S.Na/c1-4-13(3)7-6-8-14(5-2)15-9-11-16(12-10-15)20(17,18)19;/h9-14H,4-8H2,1-3H3,(H,17,18,19);/q;+1/p-1