(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)methyl benzo[b]pyrene-6-carboxylate

Systemtic Name: (2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)methyl benzo[b]pyrene-6-carboxylate Openeye Name: (1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)methyl benzo[b]pyrene-6-carboxylate CAS Name: 6-benzo[b]pyrenecarboxylic acid (1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)methyl ester IUPAC Name: (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl benzo[b]pyrene-6-carboxylate Traditional Name: benzo[b]pyrene-6-carboxylic acid (1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)methyl ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1O)(C)C)COC(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62)C

Isomeric SMILES

CC1(CC(CC(N1O)(C)C)COC(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62)C

InChI

InChI=1S/C31H31NO3/c1-30(2)16-19(17-31(3,4)32(30)34)18-35-29(33)28-23-11-6-5-10-22(23)24-14-12-20-8-7-9-21-13-15-25(28)27(24)26(20)21/h5-15,19,34H,16-18H2,1-4H3