4,6-bis(oxidanyl)naphthalene-2-sulfonate; octyl-(phenylmethyl)-dipropyl-azanium

Systemtic Name: 4,6-bis(oxidanyl)naphthalene-2-sulfonate; octyl-(phenylmethyl)-dipropyl-azanium Openeye Name: benzyl-octyl-dipropyl-ammonium; 4,6-dihydroxynaphthalene-2-sulfonate CAS Name: 4,6-dihydroxy-2-naphthalenesulfonate; octyl-(phenylmethyl)-dipropylammonium IUPAC Name: benzyl-octyl-dipropylazanium; 4,6-dihydroxynaphthalene-2-sulfonate Traditional Name: benzyl-octyl-dipropyl-ammonium; 4,6-dihydroxynaphthalene-2-sulfonate Formula: C31H45NO5S MolecularWeight: 543.7577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)O

Isomeric SMILES

CCCCCCCC[N+](CCC)(CCC)CC1=CC=CC=C1.C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)O

InChI

InChI=1S/C21H38N.C10H8O5S/c1-4-7-8-9-10-14-19-22(17-5-2,18-6-3)20-21-15-12-11-13-16-21;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h11-13,15-16H,4-10,14,17-20H2,1-3H3;1-5,11-12H,(H,13,14,15)/q+1;/p-1