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heptacosa-10,12,17-triynedioic acid

heptacosa-10,12,17-triynedioic acid

Systemtic Name:heptacosa-10,12,17-triynedioic acid
Openeye Name:heptacosa-10,12,17-triynedioic acid
CAS Name:heptacosa-10,12,17-triynedioic acid
IUPAC Name:heptacosa-10,12,17-triynedioic acid
Traditional Name:heptacosa-10,12,17-triynedioic acid
Formula: C27H40O4
MolecularWeight: 428.6041
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(=O)O)CCCC#CCCCC#CC#CCCCCCCCCC(=O)O


Isomeric SMILES

C(CCCCC(=O)O)CCCC#CCCCC#CC#CCCCCCCCCC(=O)O


InChI

InChI=1S/C27H40O4/c28-26(29)24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)31/h1-2,4,10-25H2,(H,28,29)(H,30,31)


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