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2-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)nonanedioic acid

2-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)nonanedioic acid

Systemtic Name:2-(6-hexan-2-yl-5-methyl-pentadecan-6-yl)nonanedioic acid
Openeye Name:2-[1,1-bis(1-methylpentyl)decyl]nonanedioic acid
CAS Name:2-(6-hexan-2-yl-5-methylpentadecan-6-yl)nonanedioic acid
IUPAC Name:2-(6-hexan-2-yl-5-methylpentadecan-6-yl)nonanedioic acid
Traditional Name:2-[1,1-bis(1-methylpentyl)decyl]azelaic acid
Formula: C31H60O4
MolecularWeight: 496.8057
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)C(CCCCCCC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCC(C(C)CCCC)(C(C)CCCC)C(CCCCCCC(=O)O)C(=O)O


InChI

InChI=1S/C31H60O4/c1-6-9-12-13-14-17-20-25-31(26(4)21-10-7-2,27(5)22-11-8-3)28(30(34)35)23-18-15-16-19-24-29(32)33/h26-28H,6-25H2,1-5H3,(H,32,33)(H,34,35)


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