carboxy-(3-carboxyphenyl)-ethyl-(4-hexadecoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-azanium

Systemtic Name: carboxy-(3-carboxyphenyl)-ethyl-(4-hexadecoxy-1-oxidanyl-naphthalen-2-yl)carbonyl-azanium Openeye Name: carboxy-(3-carboxyphenyl)-ethyl-(4-hexadecoxy-1-hydroxy-naphthalene-2-carbonyl)ammonium CAS Name: carboxy-(3-carboxyphenyl)-ethyl-[(4-hexadecoxy-1-hydroxy-2-naphthalenyl)-oxomethyl]ammonium IUPAC Name: carboxy-(3-carboxyphenyl)-ethyl-(4-hexadecoxy-1-hydroxynaphthalene-2-carbonyl)azanium Traditional Name: carboxy-(3-carboxyphenyl)-(4-cetyloxy-1-hydroxy-2-naphthoyl)-ethyl-ammonium Formula: C37H50NO7+ MolecularWeight: 620.7954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)[N+](CC)(C3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C2=CC=CC=C21)O)C(=O)[N+](CC)(C3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C37H49NO7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-45-33-27-32(34(39)31-24-18-17-23-30(31)33)35(40)38(4-2,37(43)44)29-22-20-21-28(26-29)36(41)42/h17-18,20-24,26-27H,3-16,19,25H2,1-2H3,(H2-,39,40,41,42,43,44)/p+1