3-(6-heptoxynaphthalen-2-yl)-1-(3-oxidanylbenzotriazol-4-yl)propan-1-one

Systemtic Name: 3-(6-heptoxynaphthalen-2-yl)-1-(3-oxidanylbenzotriazol-4-yl)propan-1-one Openeye Name: 3-(6-heptoxy-2-naphthyl)-1-(3-hydroxybenzotriazol-4-yl)propan-1-one CAS Name: 3-(6-heptoxy-2-naphthalenyl)-1-(3-hydroxy-4-benzotriazolyl)-1-propanone IUPAC Name: 3-(6-heptoxynaphthalen-2-yl)-1-(3-hydroxybenzotriazol-4-yl)propan-1-one Traditional Name: 3-(6-heptoxy-2-naphthyl)-1-(3-hydroxybenzotriazol-4-yl)propan-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)C3=C4C(=CC=C3)N=NN4O

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)C3=C4C(=CC=C3)N=NN4O

InChI

InChI=1S/C26H29N3O3/c1-2-3-4-5-6-16-32-22-14-13-20-17-19(10-12-21(20)18-22)11-15-25(30)23-8-7-9-24-26(23)29(31)28-27-24/h7-10,12-14,17-18,31H,2-6,11,15-16H2,1H3