[4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] naphthalene-1-sulfonate

Systemtic Name: [4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] naphthalene-1-sulfonate Openeye Name: [4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] ester IUPAC Name: [4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [4-propoxy-4-[4-(trifluoromethyl)phenyl]cyclohexyl] ester Formula: C26H27F3O4S MolecularWeight: 492.55039

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(CCC(CC1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCOC1(CCC(CC1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H27F3O4S/c1-2-18-32-25(20-10-12-21(13-11-20)26(27,28)29)16-14-22(15-17-25)33-34(30,31)24-9-5-7-19-6-3-4-8-23(19)24/h3-13,22H,2,14-18H2,1H3