ethyl (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-pyrene-4-carboxylate

Systemtic Name: ethyl (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-pyrene-4-carboxylate Openeye Name: ethyl (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-pyrene-4-carboxylate CAS Name: (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-4-pyrenecarboxylic acid ethyl ester IUPAC Name: ethyl (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethylpyrene-4-carboxylate Traditional Name: (10bS,10cS)-2,7-ditert-butyl-10b,10c-dimethyl-pyrene-4-carboxylic acid ethyl ester Formula: C29H36O2 MolecularWeight: 416.59494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=C3C2(C4(C(=CC(=CC4=C1)C(C)(C)C)C=C3)C)C)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=C3[C@@]2([C@]4(C(=CC(=CC4=C1)C(C)(C)C)C=C3)C)C)C(C)(C)C

InChI

InChI=1S/C29H36O2/c1-10-31-25(30)23-16-22-15-20(26(2,3)4)13-18-11-12-19-14-21(27(5,6)7)17-24(23)29(19,9)28(18,22)8/h11-17H,10H2,1-9H3/t28-,29-/m0/s1