2-oxidanyl-1,2-diphenyl-ethanone; pyrene

Systemtic Name: 2-oxidanyl-1,2-diphenyl-ethanone; pyrene Openeye Name: 2-hydroxy-1,2-diphenyl-ethanone; pyrene CAS Name: 2-hydroxy-1,2-diphenylethanone; pyrene IUPAC Name: 2-hydroxy-1,2-diphenylethanone; pyrene Traditional Name: benzoin; pyrene Formula: C30H22O2 MolecularWeight: 414.49448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10.C14H12O2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H;1-10,13,15H