sodium 4-[4-(4-sulfonatophenyl)hexan-2-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-(4-sulfonatophenyl)hexan-2-yl]benzenesulfonate Openeye Name: sodium 4-[1-methyl-3-(4-sulfonatophenyl)pentyl]benzenesulfonate CAS Name: sodium 4-[4-(4-sulfonatophenyl)hexan-2-yl]benzenesulfonate IUPAC Name: sodium 4-[4-(4-sulfonatophenyl)hexan-2-yl]benzenesulfonate Traditional Name: sodium 4-[1-methyl-3-(4-sulfonatophenyl)pentyl]besylate Formula: C18H20NaO6S2- MolecularWeight: 419.46757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H22O6S2.Na/c1-3-14(16-6-10-18(11-7-16)26(22,23)24)12-13(2)15-4-8-17(9-5-15)25(19,20)21;/h4-11,13-14H,3,12H2,1-2H3,(H,19,20,21)(H,22,23,24);/q;+1/p-2