(E)-3-(6-methyl-4-oxidanylidene-chromen-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-methyl-4-oxidanylidene-chromen-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-methyl-4-oxo-chromen-3-yl)prop-2-enoic acid CAS Name: (E)-3-(6-methyl-4-oxo-1-benzopyran-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-keto-6-methyl-chromen-3-yl)acrylic acid Formula: C13H10O4 MolecularWeight: 230.2161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C=CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C(=O)O

InChI

InChI=1S/C13H10O4/c1-8-2-4-11-10(6-8)13(16)9(7-17-11)3-5-12(14)15/h2-7H,1H3,(H,14,15)/b5-3+