1-pyren-1-ylbutane-1,3-diol

Systemtic Name: 1-pyren-1-ylbutane-1,3-diol Openeye Name: 1-pyren-1-ylbutane-1,3-diol CAS Name: 1-(1-pyrenyl)butane-1,3-diol IUPAC Name: 1-pyren-1-ylbutane-1,3-diol Traditional Name: 1-pyren-1-ylbutane-1,3-diol Formula: C20H18O2 MolecularWeight: 290.35572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)O

Isomeric SMILES

CC(CC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)O

InChI

InChI=1S/C20H18O2/c1-12(21)11-18(22)16-9-7-15-6-5-13-3-2-4-14-8-10-17(16)20(15)19(13)14/h2-10,12,18,21-22H,11H2,1H3