(12-methylbenzo[a]anthracen-7-yl)methyl benzoate

Systemtic Name: (12-methylbenzo[a]anthracen-7-yl)methyl benzoate Openeye Name: (12-methylbenzo[a]anthracen-7-yl)methyl benzoate CAS Name: benzoic acid (12-methyl-7-benzo[a]anthracenyl)methyl ester IUPAC Name: (12-methylbenzo[a]anthracen-7-yl)methyl benzoate Traditional Name: benzoic acid (12-methylbenz[a]anthracen-7-yl)methyl ester Formula: C27H20O2 MolecularWeight: 376.4465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=CC=CC=C13)COC(=O)C4=CC=CC=C4)C=CC5=CC=CC=C52

Isomeric SMILES

CC1=C2C(=C(C3=CC=CC=C13)COC(=O)C4=CC=CC=C4)C=CC5=CC=CC=C52

InChI

InChI=1S/C27H20O2/c1-18-21-12-7-8-14-23(21)25(17-29-27(28)20-10-3-2-4-11-20)24-16-15-19-9-5-6-13-22(19)26(18)24/h2-16H,17H2,1H3