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

Systemtic Name: (2E,4E)-5-(7-chloranyl-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(7-chloro-3,3-dimethyl-2H-1-benzoxepin-4-yl)-3-methyl-penta-2,4-dienoic acid Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C=CC1=CC2=C(C=CC(=C2)Cl)OCC1(C)C

Isomeric SMILES

C/C(=C\C(=O)O)/C=C/C1=CC2=C(C=CC(=C2)Cl)OCC1(C)C

InChI

InChI=1S/C18H19ClO3/c1-12(8-17(20)21)4-5-14-9-13-10-15(19)6-7-16(13)22-11-18(14,2)3/h4-10H,11H2,1-3H3,(H,20,21)/b5-4+,12-8+