(Z)-4-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[(1S)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethoxy]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]oxy-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (Z)-4-[(1S)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethoxy]-4-keto-but-2-enoic acid Formula: C14H14O6 MolecularWeight: 278.25736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)OC(=O)C=CC(=O)O

Isomeric SMILES

C[C@@H](CC1=CC2=C(C=C1)OCO2)OC(=O)/C=C\C(=O)O

InChI

InChI=1S/C14H14O6/c1-9(20-14(17)5-4-13(15)16)6-10-2-3-11-12(7-10)19-8-18-11/h2-5,7,9H,6,8H2,1H3,(H,15,16)/b5-4-/t9-/m0/s1