2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-amine

Systemtic Name: 2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-amine CAS Name: 2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (2-heptoxy-7-nonoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C30H45NO2 MolecularWeight: 451.6838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCCC)N

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCCC)N

InChI

InChI=1S/C30H45NO2/c1-3-5-7-9-10-12-13-21-32-25-16-18-26-24(23-25)15-17-28-27(26)19-20-29(30(28)31)33-22-14-11-8-6-4-2/h16,18-20,23H,3-15,17,21-22,31H2,1-2H3