(E)-5-benzo[b]pyren-6-ylpent-4-en-2-one

Systemtic Name: (E)-5-benzo[b]pyren-6-ylpent-4-en-2-one Openeye Name: (E)-5-benzo[b]pyren-6-ylpent-4-en-2-one CAS Name: (E)-5-(6-benzo[b]pyrenyl)-4-penten-2-one IUPAC Name: (E)-5-benzo[b]pyren-6-ylpent-4-en-2-one Traditional Name: (E)-5-benzo[b]pyren-6-ylpent-4-en-2-one Formula: C25H18O MolecularWeight: 334.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC=CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

Isomeric SMILES

CC(=O)C/C=C/C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51

InChI

InChI=1S/C25H18O/c1-16(26)6-4-11-21-19-9-2-3-10-20(19)22-14-12-17-7-5-8-18-13-15-23(21)25(22)24(17)18/h2-5,7-15H,6H2,1H3/b11-4+