(Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]hex-2-enoic acid

Systemtic Name: (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]hex-2-enoic acid Openeye Name: (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)vinyl]hex-2-enoic acid CAS Name: (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]-2-hexenoic acid IUPAC Name: (Z)-3-[(E)-2-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)ethenyl]hex-2-enoic acid Traditional Name: (2Z,4E)-5-(7-methoxy-3,3-dimethyl-2H-1-benzoxepin-5-yl)-3-propyl-penta-2,4-dienoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC(=O)O)C=CC1=CC(COC2=C1C=C(C=C2)OC)(C)C

Isomeric SMILES

CCC/C(=C/C(=O)O)/C=C/C1=CC(COC2=C1C=C(C=C2)OC)(C)C

InChI

InChI=1S/C21H26O4/c1-5-6-15(11-20(22)23)7-8-16-13-21(2,3)14-25-19-10-9-17(24-4)12-18(16)19/h7-13H,5-6,14H2,1-4H3,(H,22,23)/b8-7+,15-11-