hexyl benzo[b]pyrene-6-carboxylate

Systemtic Name: hexyl benzo[b]pyrene-6-carboxylate Openeye Name: hexyl benzo[b]pyrene-6-carboxylate CAS Name: 6-benzo[b]pyrenecarboxylic acid hexyl ester IUPAC Name: hexyl benzo[b]pyrene-6-carboxylate Traditional Name: benzo[b]pyrene-6-carboxylic acid hexyl ester Formula: C27H24O2 MolecularWeight: 380.47826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O2/c1-2-3-4-7-17-29-27(28)26-21-12-6-5-11-20(21)22-15-13-18-9-8-10-19-14-16-23(26)25(22)24(18)19/h5-6,8-16H,2-4,7,17H2,1H3