(diphenylmethyl) 3-bromanyl-4-(3,4-diacetyloxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (diphenylmethyl) 3-bromanyl-4-(3,4-diacetyloxyphenyl)-4-oxidanylidene-butanoate Openeye Name: benzhydryl 3-bromo-4-(3,4-diacetoxyphenyl)-4-oxo-butanoate CAS Name: 3-bromo-4-(3,4-diacetyloxyphenyl)-4-oxobutanoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-bromo-4-(3,4-diacetyloxyphenyl)-4-oxobutanoate Traditional Name: 3-bromo-4-(3,4-diacetoxyphenyl)-4-keto-butyric acid benzhydryl ester Formula: C27H23BrO7 MolecularWeight: 539.37132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)Br)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)Br)OC(=O)C

InChI

InChI=1S/C27H23BrO7/c1-17(29)33-23-14-13-21(15-24(23)34-18(2)30)26(32)22(28)16-25(31)35-27(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,22,27H,16H2,1-2H3