(1,1-dideuterio-9-methoxy-2H-benzo[j]aceanthrylen-6-yl) ethanoate

Systemtic Name: (1,1-dideuterio-9-methoxy-2H-benzo[j]aceanthrylen-6-yl) ethanoate Openeye Name: (1,1-dideuterio-9-methoxy-2H-benzo[j]aceanthrylen-6-yl) acetate CAS Name: acetic acid (1,1-dideuterio-9-methoxy-2H-benzo[j]aceanthrylen-6-yl) ester IUPAC Name: (1,1-dideuterio-9-methoxy-2H-benzo[j]aceanthrylen-6-yl) acetate Traditional Name: acetic acid (1,1-dideuterio-9-methoxy-cholanthren-6-yl) ester Formula: C23H18O3 MolecularWeight: 344.399544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C=CC=C3C2=C(CC3)C4=C1C5=C(C=C4)C=C(C=C5)OC

Isomeric SMILES

[2H]C1(CC2=CC=CC3=C(C4=C(C1=C23)C=CC5=C4C=CC(=C5)OC)OC(=O)C)[2H]

InChI

InChI=1S/C23H18O3/c1-13(24)26-23-20-5-3-4-14-6-9-18(21(14)20)19-10-7-15-12-16(25-2)8-11-17(15)22(19)23/h3-5,7-8,10-12H,6,9H2,1-2H3/i9D2