2-heptoxy-7-hexoxy-9,10-dihydrophenanthrene-1,8-diamine

Systemtic Name: 2-heptoxy-7-hexoxy-9,10-dihydrophenanthrene-1,8-diamine Openeye Name: 2-heptoxy-7-hexoxy-9,10-dihydrophenanthrene-1,8-diamine CAS Name: 2-heptoxy-7-hexoxy-9,10-dihydrophenanthrene-1,8-diamine IUPAC Name: 2-heptoxy-7-hexoxy-9,10-dihydrophenanthrene-1,8-diamine Traditional Name: (8-amino-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C27H40N2O2 MolecularWeight: 424.6187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCC)N)N

Isomeric SMILES

CCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCC)N)N

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-11-19-31-25-17-15-21-20-14-16-24(30-18-10-8-6-4-2)26(28)22(20)12-13-23(21)27(25)29/h14-17H,3-13,18-19,28-29H2,1-2H3