(E)-3-[3-ethyl-1,4-bis(oxidanylidene)isochromen-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-ethyl-1,4-bis(oxidanylidene)isochromen-3-yl]prop-2-enoic acid Openeye Name: (E)-3-(3-ethyl-1,4-dioxo-isochroman-3-yl)prop-2-enoic acid CAS Name: (E)-3-(3-ethyl-1,4-dioxo-3,4-dihydro-1H-2-benzopyran-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(3-ethyl-1,4-dioxoisochromen-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-ethyl-1,4-diketo-isochroman-3-yl)acrylic acid Formula: C14H12O5 MolecularWeight: 260.24208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CC=C2C(=O)O1)C=CC(=O)O

Isomeric SMILES

CCC1(C(=O)C2=CC=CC=C2C(=O)O1)/C=C/C(=O)O

InChI

InChI=1S/C14H12O5/c1-2-14(8-7-11(15)16)12(17)9-5-3-4-6-10(9)13(18)19-14/h3-8H,2H2,1H3,(H,15,16)/b8-7+