methyl (Z)-2,4-bis(1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate

Systemtic Name: methyl (Z)-2,4-bis(1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoate Openeye Name: methyl (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-but-2-enoate CAS Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-4-oxo-3-(phenylmethyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-oxobut-2-enoate Traditional Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-but-2-enoic acid methyl ester Formula: C26H20O7 MolecularWeight: 444.4328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)/C(=C(/CC1=CC=CC=C1)\C(=O)C2=CC3=C(C=C2)OCO3)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H20O7/c1-29-26(28)24(17-7-9-20-22(12-17)32-14-30-20)19(11-16-5-3-2-4-6-16)25(27)18-8-10-21-23(13-18)33-15-31-21/h2-10,12-13H,11,14-15H2,1H3/b24-19-