3,14-di(nonan-5-yl)hexadecane-1,3,14,16-tetracarboxylic acid

Systemtic Name: 3,14-di(nonan-5-yl)hexadecane-1,3,14,16-tetracarboxylic acid Openeye Name: 3,14-bis(1-butylpentyl)hexadecane-1,3,14,16-tetracarboxylic acid CAS Name: 3,14-di(nonan-5-yl)hexadecane-1,3,14,16-tetracarboxylic acid IUPAC Name: 3,14-di(nonan-5-yl)hexadecane-1,3,14,16-tetracarboxylic acid Traditional Name: 3,14-bis(1-butylpentyl)hexadecane-1,3,14,16-tetracarboxylic acid Formula: C38H70O8 MolecularWeight: 654.9576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(CCCCCCCCCCC(CCC(=O)O)(C(CCCC)CCCC)C(=O)O)(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCC)C(CCCCCCCCCCC(CCC(=O)O)(C(CCCC)CCCC)C(=O)O)(CCC(=O)O)C(=O)O

InChI

InChI=1S/C38H70O8/c1-5-9-21-31(22-10-6-2)37(35(43)44,29-25-33(39)40)27-19-17-15-13-14-16-18-20-28-38(36(45)46,30-26-34(41)42)32(23-11-7-3)24-12-8-4/h31-32H,5-30H2,1-4H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)