4-[(E)-(3-oxidanylidene-1H-isochromen-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(E)-(3-oxidanylidene-1H-isochromen-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(E)-(3-oxoisochroman-4-ylidene)methyl]benzoic acid CAS Name: 4-[(E)-(3-oxo-3,4-dihydro-1H-2-benzopyran-4-ylidene)methyl]benzoic acid IUPAC Name: 4-[(E)-(3-oxo-1H-isochromen-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(E)-(3-ketoisochroman-4-ylidene)methyl]benzoic acid Formula: C17H12O4 MolecularWeight: 280.27478

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC3=CC=C(C=C3)C(=O)O)C(=O)O1

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\C3=CC=C(C=C3)C(=O)O)/C(=O)O1

InChI

InChI=1S/C17H12O4/c18-16(19)12-7-5-11(6-8-12)9-15-14-4-2-1-3-13(14)10-21-17(15)20/h1-9H,10H2,(H,18,19)/b15-9+