sodium 4-[(4-butylcyclohexyl)carbonylamino]-3-(4-ethylphenyl)naphthalene-1-sulfonate

Systemtic Name: sodium 4-[(4-butylcyclohexyl)carbonylamino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Openeye Name: sodium 4-[(4-butylcyclohexanecarbonyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate CAS Name: sodium 4-[[(4-butylcyclohexyl)-oxomethyl]amino]-3-(4-ethylphenyl)-1-naphthalenesulfonate IUPAC Name: sodium 4-[(4-butylcyclohexanecarbonyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Traditional Name: sodium 4-[(4-butylcyclohexanecarbonyl)amino]-3-(4-ethylphenyl)naphthalene-1-sulfonate Formula: C29H34NNaO4S MolecularWeight: 515.63933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)CC.[Na+]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])C4=CC=C(C=C4)CC.[Na+]

InChI

InChI=1S/C29H35NO4S.Na/c1-3-5-8-21-13-17-23(18-14-21)29(31)30-28-25-10-7-6-9-24(25)27(35(32,33)34)19-26(28)22-15-11-20(4-2)12-16-22;/h6-7,9-12,15-16,19,21,23H,3-5,8,13-14,17-18H2,1-2H3,(H,30,31)(H,32,33,34);/q;+1/p-1