cyclohexanamine; 3,6-dibutylnaphthalene-1-sulfonate

Systemtic Name: cyclohexanamine; 3,6-dibutylnaphthalene-1-sulfonate Openeye Name: cyclohexanamine; 3,6-dibutylnaphthalene-1-sulfonate CAS Name: cyclohexanamine; 3,6-dibutyl-1-naphthalenesulfonate IUPAC Name: cyclohexanamine; 3,6-dibutylnaphthalene-1-sulfonate Traditional Name: cyclohexylamine; 3,6-dibutylnaphthalene-1-sulfonate Formula: C24H36NO3S- MolecularWeight: 418.61254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)[O-])CCCC.C1CCC(CC1)N

Isomeric SMILES

CCCCC1=CC2=CC(=CC(=C2C=C1)S(=O)(=O)[O-])CCCC.C1CCC(CC1)N

InChI

InChI=1S/C18H24O3S.C6H13N/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21;7-6-4-2-1-3-5-6/h9-13H,3-8H2,1-2H3,(H,19,20,21);6H,1-5,7H2/p-1