1-[4-[4-methylsulfonyl-2-[4-(3-oxidanylidenebutanoyl)phenyl]phenyl]phenyl]butane-1,3-dione

Systemtic Name: 1-[4-[4-methylsulfonyl-2-[4-(3-oxidanylidenebutanoyl)phenyl]phenyl]phenyl]butane-1,3-dione Openeye Name: 1-[4-[4-methylsulfonyl-2-[4-(3-oxobutanoyl)phenyl]phenyl]phenyl]butane-1,3-dione CAS Name: 1-[4-[2-[4-(1,3-dioxobutyl)phenyl]-4-methylsulfonylphenyl]phenyl]butane-1,3-dione IUPAC Name: 1-[4-[4-methylsulfonyl-2-[4-(3-oxobutanoyl)phenyl]phenyl]phenyl]butane-1,3-dione Traditional Name: 1-[4-[2-(4-acetoacetylphenyl)-4-mesyl-phenyl]phenyl]butane-1,3-dione Formula: C27H24O6S MolecularWeight: 476.54086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)CC(=O)C

Isomeric SMILES

CC(=O)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)CC(=O)C

InChI

InChI=1S/C27H24O6S/c1-17(28)14-26(30)21-8-4-19(5-9-21)24-13-12-23(34(3,32)33)16-25(24)20-6-10-22(11-7-20)27(31)15-18(2)29/h4-13,16H,14-15H2,1-3H3