1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol

Systemtic Name: 1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol Openeye Name: 1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol CAS Name: 1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol IUPAC Name: 1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol Traditional Name: 1,2,3,3a,4,12c-hexahydrobenzo[h]pyrene-1,2,3-triol Formula: C20H18O3 MolecularWeight: 306.35512

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C=C3C=CC=CC3=C4C2C5=C(C=C4)C(C(C(C51)O)O)O

Isomeric SMILES

C1C=C2C=C3C=CC=CC3=C4C2C5=C(C=C4)C(C(C(C51)O)O)O

InChI

InChI=1S/C20H18O3/c21-18-14-6-5-11-9-10-3-1-2-4-12(10)13-7-8-15(17(14)16(11)13)19(22)20(18)23/h1-5,7-9,14,16,18-23H,6H2