methyl (E,30S)-30-oxidanyldotriacont-28-en-2,9,14,19,21,31-hexaynoate

Systemtic Name: methyl (E,30S)-30-oxidanyldotriacont-28-en-2,9,14,19,21,31-hexaynoate Openeye Name: methyl (E,30S)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoate CAS Name: (E,30S)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoic acid methyl ester IUPAC Name: methyl (E,30S)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoate Traditional Name: (E,30S)-30-hydroxydotriacont-28-en-2,9,14,19,21,31-hexaynoic acid methyl ester Formula: C33H40O3 MolecularWeight: 484.6689

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCCCC#CCCCC#CCCCC#CC#CCCCCCC=CC(C#C)O

Isomeric SMILES

COC(=O)C#CCCCCCC#CCCCC#CCCCC#CC#CCCCCC/C=C/[C@@H](C#C)O

InChI

InChI=1S/C33H40O3/c1-3-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)36-2/h1,28,30,32,34H,4,6,8-9,11,13,18-27H2,2H3/b30-28+/t32-/m1/s1