(E)-1-[2-[4-(4-methylpentoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[2-[4-(4-methylpentoxy)phenyl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[2-(4-isohexyloxyphenyl)-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[2-[4-(4-methylpentoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[2-[4-(4-methylpentoxy)phenyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[2-(4-isohexyloxyphenyl)-3-oxido-3H-benzotriazol-3-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=CC=C(C=C1)N2[NH+](C3=CC=CC=C3N2C(=O)C=CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)CCCOC1=CC=C(C=C1)N2[NH+](C3=CC=CC=C3N2C(=O)/C=C/C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H29N3O3/c1-21(2)9-8-20-33-24-17-15-23(16-18-24)29-28(25-12-6-7-13-26(25)30(29)32)27(31)19-14-22-10-4-3-5-11-22/h3-7,10-19,21,30H,8-9,20H2,1-2H3/b19-14+