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4-pyren-1-ylbutane-1,2,3-triol

4-pyren-1-ylbutane-1,2,3-triol

Systemtic Name:4-pyren-1-ylbutane-1,2,3-triol
Openeye Name:4-pyren-1-ylbutane-1,2,3-triol
CAS Name:4-(1-pyrenyl)butane-1,2,3-triol
IUPAC Name:4-pyren-1-ylbutane-1,2,3-triol
Traditional Name:4-pyren-1-ylbutane-1,2,3-triol
Formula: C20H18O3
MolecularWeight: 306.35512
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CC(C(CO)O)O


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CC(C(CO)O)O


InChI

InChI=1S/C20H18O3/c21-11-18(23)17(22)10-15-7-6-14-5-4-12-2-1-3-13-8-9-16(15)20(14)19(12)13/h1-9,17-18,21-23H,10-11H2


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