9-bromanyl-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol

Systemtic Name: 9-bromanyl-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol Openeye Name: 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol CAS Name: 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol IUPAC Name: 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol Traditional Name: 9-bromo-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,10-triol Formula: C20H15BrO3 MolecularWeight: 383.2353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)Br)O)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)Br)O)C=C2

InChI

InChI=1S/C20H15BrO3/c21-17-19(23)16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)18(22)20(17)24/h1-8,17-20,22-24H