hexyl-[1-[[2-[2-(4-hydroxyphenyl)ethyl]phenyl]diazenyl]-5-oxidanylidene-2-phenyl-pyrazol-1-ium-1-yl]carbamic acid

Systemtic Name: hexyl-[1-[[2-[2-(4-hydroxyphenyl)ethyl]phenyl]diazenyl]-5-oxidanylidene-2-phenyl-pyrazol-1-ium-1-yl]carbamic acid Openeye Name: hexyl-[1-[2-[2-(4-hydroxyphenyl)ethyl]phenyl]azo-5-oxo-2-phenyl-pyrazol-1-ium-1-yl]carbamic acid CAS Name: hexyl-[1-[2-[2-(4-hydroxyphenyl)ethyl]phenyl]azo-5-oxo-2-phenyl-1-pyrazol-1-iumyl]carbamic acid IUPAC Name: hexyl-[1-[[2-[2-(4-hydroxyphenyl)ethyl]phenyl]diazenyl]-5-oxo-2-phenylpyrazol-1-ium-1-yl]carbamic acid Traditional Name: hexyl-[1-[2-[2-(4-hydroxyphenyl)ethyl]phenyl]azo-5-keto-2-phenyl-3-pyrazolin-1-ium-1-yl]carbamic acid Formula: C30H34N5O4+ MolecularWeight: 528.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(=O)O)[N+]1(C(=O)C=CN1C2=CC=CC=C2)N=NC3=CC=CC=C3CCC4=CC=C(C=C4)O

Isomeric SMILES

CCCCCCN(C(=O)O)[N+]1(C(=O)C=CN1C2=CC=CC=C2)N=NC3=CC=CC=C3CCC4=CC=C(C=C4)O

InChI

InChI=1S/C30H33N5O4/c1-2-3-4-10-22-34(30(38)39)35(29(37)21-23-33(35)26-12-6-5-7-13-26)32-31-28-14-9-8-11-25(28)18-15-24-16-19-27(36)20-17-24/h5-9,11-14,16-17,19-21,23H,2-4,10,15,18,22H2,1H3,(H-,36,38,39)/p+1