(4Z,27E,29R)-18-methyl-29-oxidanyl-hentriaconta-4,27-dien-2,30-diynoic acid

Systemtic Name: (4Z,27E,29R)-18-methyl-29-oxidanyl-hentriaconta-4,27-dien-2,30-diynoic acid Openeye Name: (4Z,27E,29R)-29-hydroxy-18-methyl-hentriaconta-4,27-dien-2,30-diynoic acid CAS Name: (4Z,27E,29R)-29-hydroxy-18-methylhentriaconta-4,27-dien-2,30-diynoic acid IUPAC Name: (4Z,27E,29R)-29-hydroxy-18-methylhentriaconta-4,27-dien-2,30-diynoic acid Traditional Name: (4Z,27E,29R)-29-hydroxy-18-methyl-hentriaconta-4,27-dien-2,30-diynoic acid Formula: C32H52O3 MolecularWeight: 484.75348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCCC=CC#CC(=O)O)CCCCCCCCC=CC(C#C)O

Isomeric SMILES

CC(CCCCCCCCCCCC/C=C\C#CC(=O)O)CCCCCCCC/C=C/[C@H](C#C)O

InChI

InChI=1S/C32H52O3/c1-3-31(33)28-24-20-16-13-12-15-19-23-27-30(2)26-22-18-14-10-8-6-4-5-7-9-11-17-21-25-29-32(34)35/h1,17,21,24,28,30-31,33H,4-16,18-20,22-23,26-27H2,2H3,(H,34,35)/b21-17-,28-24+/t30?,31-/m0/s1