4-[(Z)-(9-methyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid

Systemtic Name: 4-[(Z)-(9-methyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid Openeye Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid CAS Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid IUPAC Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid Traditional Name: 4-[(Z)-(5-keto-9-methyl-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]benzoic acid Formula: C19H16O4 MolecularWeight: 308.32794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCC(=CC3=CC=C(C=C3)C(=O)O)C2=O

Isomeric SMILES

CC1=CC=CC2=C1OCC/C(=C/C3=CC=C(C=C3)C(=O)O)/C2=O

InChI

InChI=1S/C19H16O4/c1-12-3-2-4-16-17(20)15(9-10-23-18(12)16)11-13-5-7-14(8-6-13)19(21)22/h2-8,11H,9-10H2,1H3,(H,21,22)/b15-11-