(Z)-2-[(2-ethylphenyl)methyl]-3-methyl-but-2-enedioic acid

Systemtic Name: (Z)-2-[(2-ethylphenyl)methyl]-3-methyl-but-2-enedioic acid Openeye Name: (Z)-2-[(2-ethylphenyl)methyl]-3-methyl-but-2-enedioic acid CAS Name: (Z)-2-[(2-ethylphenyl)methyl]-3-methyl-2-butenedioic acid IUPAC Name: (Z)-2-[(2-ethylphenyl)methyl]-3-methylbut-2-enedioic acid Traditional Name: (Z)-2-(2-ethylbenzyl)-3-methyl-but-2-enedioic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(=C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1C/C(=C(\C)/C(=O)O)/C(=O)O

InChI

InChI=1S/C14H16O4/c1-3-10-6-4-5-7-11(10)8-12(14(17)18)9(2)13(15)16/h4-7H,3,8H2,1-2H3,(H,15,16)(H,17,18)/b12-9-