6-methoxybenzo[a]pyrene-1,3-diol

Systemtic Name: 6-methoxybenzo[a]pyrene-1,3-diol Openeye Name: 6-methoxybenzo[a]pyrene-1,3-diol CAS Name: 6-methoxybenzo[a]pyrene-1,3-diol IUPAC Name: 6-methoxybenzo[a]pyrene-1,3-diol Traditional Name: 6-methoxybenzo[a]pyrene-1,3-diol Formula: C21H14O3 MolecularWeight: 314.33406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C5=CC=CC=C51)O)O

Isomeric SMILES

COC1=C2C=CC3=C(C=C(C4=C3C2=C(C=C4)C5=CC=CC=C51)O)O

InChI

InChI=1S/C21H14O3/c1-24-21-13-5-3-2-4-11(13)12-6-7-14-17(22)10-18(23)15-8-9-16(21)19(12)20(14)15/h2-10,22-23H,1H3