(2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C=CC1=CC2=CC=CC=C2OCC1(C)C

Isomeric SMILES

C/C(=C\C(=O)O)/C=C/C1=CC2=CC=CC=C2OCC1(C)C

InChI

InChI=1S/C18H20O3/c1-13(10-17(19)20)8-9-15-11-14-6-4-5-7-16(14)21-12-18(15,2)3/h4-11H,12H2,1-3H3,(H,19,20)/b9-8+,13-10+