4,6-bis(chloranyl)-6-[(E)-octadec-9-enyl]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-6-[(E)-octadec-9-enyl]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 4,6-dichloro-6-[(E)-octadec-9-enyl]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 4,6-dichloro-6-[(E)-octadec-9-enyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 4,6-dichloro-6-[(E)-octadec-9-enyl]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 4,6-dichloro-6-[(E)-octadec-9-enyl]cyclohexa-2,4-diene-1-carboxylic acid Formula: C25H40Cl2O2 MolecularWeight: 443.4899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1(C=C(C=CC1C(=O)O)Cl)Cl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1(C=C(C=CC1C(=O)O)Cl)Cl

InChI

InChI=1S/C25H40Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(27)21-22(26)18-19-23(25)24(28)29/h9-10,18-19,21,23H,2-8,11-17,20H2,1H3,(H,28,29)/b10-9+