benzo[a]pyrene; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: benzo[a]pyrene; (2E,4E)-hexa-2,4-dienoate Openeye Name: benzo[a]pyrene; (2E,4E)-hexa-2,4-dienoate CAS Name: benzo[a]pyrene; (2E,4E)-hexa-2,4-dienoate IUPAC Name: benzo[a]pyrene; (2E,4E)-hexa-2,4-dienoate Traditional Name: benzo[a]pyrene sorbate Formula: C26H19O2- MolecularWeight: 363.42786

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C20H12.C6H8O2/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14;1-2-3-4-5-6(7)8/h1-12H;2-5H,1H3,(H,7,8)/p-1/b;3-2+,5-4+