[1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] hydrogen sulfate

Systemtic Name: [1-(6-bromanylphenanthren-9-yl)-2-(diheptylamino)ethyl] hydrogen sulfate Openeye Name: [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] hydrogen sulfate CAS Name: sulfuric acid [1-(6-bromo-9-phenanthrenyl)-2-(diheptylamino)ethyl] ester IUPAC Name: [1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethyl] hydrogen sulfate Traditional Name: sulfuric acid [1-(6-bromo-9-phenanthryl)-2-(diheptylamino)ethyl] ester Formula: C30H42BrNO4S MolecularWeight: 592.62778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)OS(=O)(=O)O

InChI

InChI=1S/C30H42BrNO4S/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(36-37(33,34)35)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29/h11-12,15-18,21-22,30H,3-10,13-14,19-20,23H2,1-2H3,(H,33,34,35)