(2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(7-ethyl-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OCC(C=C2C=CC(=CC(=O)O)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OCC(C=C2/C=C/C(=C/C(=O)O)/C)(C)C

InChI

InChI=1S/C20H24O3/c1-5-15-7-9-18-17(11-15)16(12-20(3,4)13-23-18)8-6-14(2)10-19(21)22/h6-12H,5,13H2,1-4H3,(H,21,22)/b8-6+,14-10+