methyl 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzoate

Systemtic Name: methyl 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzoate Openeye Name: methyl 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzoate CAS Name: 4-[(10bR,10cR)-10b,10c-dimethyl-1-pyrenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzoate Traditional Name: 4-[(10bR,10cR)-10b,10c-dimethylpyren-1-yl]benzoic acid methyl ester Formula: C26H22O2 MolecularWeight: 366.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=CC=C4C1(C(=C(C=C4)C5=CC=C(C=C5)C(=O)OC)C=CC2=CC=C3)C

Isomeric SMILES

C[C@]12C3=CC=C4[C@@]1(C(=C(C=C4)C5=CC=C(C=C5)C(=O)OC)C=CC2=CC=C3)C

InChI

InChI=1S/C26H22O2/c1-25-19-5-4-6-20(25)14-16-23-22(15-13-21(12-11-19)26(23,25)2)17-7-9-18(10-8-17)24(27)28-3/h4-16H,1-3H3/t25-,26-/m1/s1