2-[4,4-bis(chloranyl)but-3-en-2-yl]-3-(3-phenoxyphenyl)-2-propan-2-yl-hexanoic acid

Systemtic Name: 2-[4,4-bis(chloranyl)but-3-en-2-yl]-3-(3-phenoxyphenyl)-2-propan-2-yl-hexanoic acid Openeye Name: 2-(3,3-dichloro-1-methyl-allyl)-2-isopropyl-3-(3-phenoxyphenyl)hexanoic acid CAS Name: 2-(4,4-dichlorobut-3-en-2-yl)-3-(3-phenoxyphenyl)-2-propan-2-ylhexanoic acid IUPAC Name: 2-(4,4-dichlorobut-3-en-2-yl)-3-(3-phenoxyphenyl)-2-propan-2-ylhexanoic acid Traditional Name: 5,5-dichloro-2-isopropyl-3-methyl-2-[1-(3-phenoxyphenyl)butyl]pent-4-enoic acid Formula: C25H30Cl2O3 MolecularWeight: 449.4099

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C(C)C)(C(C)C=C(Cl)Cl)C(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(C(C)C)(C(C)C=C(Cl)Cl)C(=O)O

InChI

InChI=1S/C25H30Cl2O3/c1-5-10-22(25(17(2)3,24(28)29)18(4)15-23(26)27)19-11-9-14-21(16-19)30-20-12-7-6-8-13-20/h6-9,11-18,22H,5,10H2,1-4H3,(H,28,29)