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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl)O

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl)O

InChI

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