[4-(4-butylphenyl)cyclohexyl] naphthalene-2-sulfonate

Systemtic Name: [4-(4-butylphenyl)cyclohexyl] naphthalene-2-sulfonate Openeye Name: [4-(4-butylphenyl)cyclohexyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [4-(4-butylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-butylphenyl)cyclohexyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [4-(4-butylphenyl)cyclohexyl] ester Formula: C26H30O3S MolecularWeight: 422.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30O3S/c1-2-3-6-20-9-11-22(12-10-20)23-13-16-25(17-14-23)29-30(27,28)26-18-15-21-7-4-5-8-24(21)19-26/h4-5,7-12,15,18-19,23,25H,2-3,6,13-14,16-17H2,1H3