1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol

Systemtic Name: 1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol Openeye Name: 1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol CAS Name: 1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol IUPAC Name: 1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol Traditional Name: 1-(3-methoxyphenyl)-8-(4-nitrophenyl)octane-2,7-diol Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CCCCC(CC2=CC=C(C=C2)[N+](=O)[O-])O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC(CCCCC(CC2=CC=C(C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C21H27NO5/c1-27-21-8-4-5-17(15-21)14-20(24)7-3-2-6-19(23)13-16-9-11-18(12-10-16)22(25)26/h4-5,8-12,15,19-20,23-24H,2-3,6-7,13-14H2,1H3