7-(benzotriazol-1-yl)-7-dodecyl-N,N-diethyl-5,6-dihydrobenzo[c]xanthen-10-amine

Systemtic Name: 7-(benzotriazol-1-yl)-7-dodecyl-N,N-diethyl-5,6-dihydrobenzo[c]xanthen-10-amine Openeye Name: 7-(benzotriazol-1-yl)-7-dodecyl-N,N-diethyl-5,6-dihydrobenzo[c]xanthen-10-amine CAS Name: 7-(1-benzotriazolyl)-7-dodecyl-N,N-diethyl-5,6-dihydrobenzo[c]xanthen-10-amine IUPAC Name: 7-(benzotriazol-1-yl)-7-dodecyl-N,N-diethyl-5,6-dihydrobenzo[c]xanthen-10-amine Traditional Name: [7-(benzotriazol-1-yl)-7-lauryl-5,6-dihydrobenzo[c]xanthen-10-yl]-diethyl-amine Formula: C39H50N4O MolecularWeight: 590.8405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C2=C(C3=CC=CC=C3CC2)OC4=C1C=CC(=C4)N(CC)CC)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CCCCCCCCCCCCC1(C2=C(C3=CC=CC=C3CC2)OC4=C1C=CC(=C4)N(CC)CC)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C39H50N4O/c1-4-7-8-9-10-11-12-13-14-19-28-39(43-36-23-18-17-22-35(36)40-41-43)33-27-25-31(42(5-2)6-3)29-37(33)44-38-32-21-16-15-20-30(32)24-26-34(38)39/h15-18,20-23,25,27,29H,4-14,19,24,26,28H2,1-3H3