4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-oxidanyl-4-oxidanylidene-2-(phenylmethyl)but-2-enoyl]benzoic acid

Systemtic Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-oxidanyl-4-oxidanylidene-2-(phenylmethyl)but-2-enoyl]benzoic acid Openeye Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-hydroxy-4-oxo-but-2-enoyl]benzoic acid CAS Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-hydroxy-1,4-dioxo-2-(phenylmethyl)but-2-enyl]benzoic acid IUPAC Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-hydroxy-4-oxobut-2-enoyl]benzoic acid Traditional Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-hydroxy-4-keto-but-2-enoyl]benzoic 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=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H18O7/c26-23(16-6-8-17(9-7-16)24(27)28)19(12-15-4-2-1-3-5-15)22(25(29)30)18-10-11-20-21(13-18)32-14-31-20/h1-11,13H,12,14H2,(H,27,28)(H,29,30)/b22-19-