(3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-(4-pentylcyclohexyl)phenyl]methanone

Systemtic Name: (3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-(4-pentylcyclohexyl)phenyl]methanone Openeye Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-(4-pentylcyclohexyl)phenyl]methanone CAS Name: (3-oxido-1-benzotriazol-3-iumyl)-[4-(4-pentylcyclohexyl)phenyl]methanone IUPAC Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-(4-pentylcyclohexyl)phenyl]methanone Traditional Name: [4-(4-amylcyclohexyl)phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C24H29N3O2/c1-2-3-4-7-18-10-12-19(13-11-18)20-14-16-21(17-15-20)24(28)26-22-8-5-6-9-23(22)27(29)25-26/h5-6,8-9,14-19H,2-4,7,10-13H2,1H3