12-(2,4,5-trimethyl-6-oxidanyl-cyclohexa-1,3-dien-1-yl)dodeca-2,7-diynoic acid

Systemtic Name: 12-(2,4,5-trimethyl-6-oxidanyl-cyclohexa-1,3-dien-1-yl)dodeca-2,7-diynoic acid Openeye Name: 12-(6-hydroxy-2,4,5-trimethyl-cyclohexa-1,3-dien-1-yl)dodeca-2,7-diynoic acid CAS Name: 12-(6-hydroxy-2,4,5-trimethyl-1-cyclohexa-1,3-dienyl)dodeca-2,7-diynoic acid IUPAC Name: 12-(6-hydroxy-2,4,5-trimethylcyclohexa-1,3-dien-1-yl)dodeca-2,7-diynoic acid Traditional Name: 12-(6-hydroxy-2,4,5-trimethyl-cyclohexa-1,3-dien-1-yl)dodeca-2,7-diynoic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C(C=C1C)C)CCCCC#CCCCC#CC(=O)O)O

Isomeric SMILES

CC1C(C(=C(C=C1C)C)CCCCC#CCCCC#CC(=O)O)O

InChI

InChI=1S/C21H28O3/c1-16-15-17(2)19(21(24)18(16)3)13-11-9-7-5-4-6-8-10-12-14-20(22)23/h15,18,21,24H,6-11,13H2,1-3H3,(H,22,23)