(4E,17E,27E)-29-oxidanylhentriaconta-4,17,27-trien-2,20,30-triynoic acid

Systemtic Name: (4E,17E,27E)-29-oxidanylhentriaconta-4,17,27-trien-2,20,30-triynoic acid Openeye Name: (4E,17E,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid CAS Name: (4E,17E,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid IUPAC Name: (4E,17E,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid Traditional Name: (4E,17E,27E)-29-hydroxyhentriaconta-4,17,27-trien-2,20,30-triynoic acid Formula: C31H44O3 MolecularWeight: 464.67926

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C=CCCCCCC#CCC=CCCCCCCCCCCCC=CC#CC(=O)O)O

Isomeric SMILES

C#CC(/C=C/CCCCCC#CC/C=C/CCCCCCCCCCC/C=C/C#CC(=O)O)O

InChI

InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6+,25-23+,28-26+