7-azanyl-4-oxidanyl-naphthalene-2-sulfonate; tributyl-(phenylmethyl)azanium

Systemtic Name: 7-azanyl-4-oxidanyl-naphthalene-2-sulfonate; tributyl-(phenylmethyl)azanium Openeye Name: 7-amino-4-hydroxy-naphthalene-2-sulfonate; benzyl(tributyl)ammonium CAS Name: 7-amino-4-hydroxy-2-naphthalenesulfonate; tributyl-(phenylmethyl)ammonium IUPAC Name: 7-amino-4-hydroxynaphthalene-2-sulfonate; benzyl(tributyl)azanium Traditional Name: 7-amino-4-hydroxy-naphthalene-2-sulfonate; benzyl(tributyl)ammonium Formula: C29H42N2O4S MolecularWeight: 514.71978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)[O-])O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)[O-])O

InChI

InChI=1S/C19H34N.C10H9NO4S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h10-14H,4-9,15-18H2,1-3H3;1-5,12H,11H2,(H,13,14,15)/q+1;/p-1