(4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol

Systemtic Name: (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol Openeye Name: (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol CAS Name: (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol IUPAC Name: (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol Traditional Name: (4S,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol Formula: C20H14O2 MolecularWeight: 286.32396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C3=C4C(=CC2=C1)C(C(C5=CC=CC(=C54)C=C3)O)O

Isomeric SMILES

C1=CC=C2C3=C4C(=CC2=C1)[C@@H]([C@H](C5=CC=CC(=C54)C=C3)O)O

InChI

InChI=1S/C20H14O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,19-22H/t19-,20-/m0/s1