[1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] diphenyl phosphate

Systemtic Name: [1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] diphenyl phosphate Openeye Name: [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] diphenyl phosphate CAS Name: phosphoric acid [1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethyl] diphenyl ester IUPAC Name: [1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethyl] diphenyl phosphate Traditional Name: phosphoric acid [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] diphenyl ester Formula: C42H51BrNO4P MolecularWeight: 744.736401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C42H51BrNO4P/c1-3-5-7-9-19-29-44(30-20-10-8-6-4-2)33-42(41-31-34-21-17-18-26-38(34)40-32-35(43)27-28-39(40)41)48-49(45,46-36-22-13-11-14-23-36)47-37-24-15-12-16-25-37/h11-18,21-28,31-32,42H,3-10,19-20,29-30,33H2,1-2H3