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

Systemtic Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-4-oxidanylidene-3-(phenylmethyl)but-2-enoic acid Openeye Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-oxo-but-2-enoic acid CAS Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-4-oxo-3-(phenylmethyl)-2-butenoic acid IUPAC Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-oxobut-2-enoic acid Traditional Name: (Z)-2,4-bis(1,3-benzodioxol-5-yl)-3-benzyl-4-keto-but-2-enoic acid Formula: C25H18O7 MolecularWeight: 430.40622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=C(CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C(=C(\CC3=CC=CC=C3)/C(=O)C4=CC5=C(C=C4)OCO5)/C(=O)O

InChI

InChI=1S/C25H18O7/c26-24(17-7-9-20-22(12-17)32-14-30-20)18(10-15-4-2-1-3-5-15)23(25(27)28)16-6-8-19-21(11-16)31-13-29-19/h1-9,11-12H,10,13-14H2,(H,27,28)/b23-18-