1-(3-chloranylphenanthren-9-yl)-2-(diheptylamino)ethanol

Systemtic Name: 1-(3-chloranylphenanthren-9-yl)-2-(diheptylamino)ethanol Openeye Name: 1-(3-chloro-9-phenanthryl)-2-(diheptylamino)ethanol CAS Name: 1-(3-chloro-9-phenanthrenyl)-2-(diheptylamino)ethanol IUPAC Name: 1-(3-chlorophenanthren-9-yl)-2-(diheptylamino)ethanol Traditional Name: 1-(3-chloro-9-phenanthryl)-2-(diheptylamino)ethanol Formula: C30H42ClNO MolecularWeight: 468.11358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=C(C=C2)Cl)C3=CC=CC=C31)O

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=C(C=C2)Cl)C3=CC=CC=C31)O

InChI

InChI=1S/C30H42ClNO/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-17-18-25(31)22-28(24)26-15-11-12-16-27(26)29/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3