2-butoxy-3-butyl-heptane-1,2,3-tricarboxylic acid; 2,2-diethylnonanedioic acid; 2-(2-hexyldecyl)tetradecanoate

Systemtic Name: 2-butoxy-3-butyl-heptane-1,2,3-tricarboxylic acid; 2,2-diethylnonanedioic acid; 2-(2-hexyldecyl)tetradecanoate Openeye Name: 2-butoxy-3-butyl-heptane-1,2,3-tricarboxylic acid; 2,2-diethylnonanedioic acid; 2-(2-hexyldecyl)tetradecanoate CAS Name: 2-butoxy-3-butylheptane-1,2,3-tricarboxylic acid; 2,2-diethylnonanedioic acid; 2-(2-hexyldecyl)tetradecanoate IUPAC Name: 2-butoxy-3-butylheptane-1,2,3-tricarboxylic acid; 2,2-diethylnonanedioic acid; 2-(2-hexyldecyl)tetradecanoate Traditional Name: 2-butoxy-3-butyl-heptane-1,2,3-tricarboxylic acid; 2,2-diethylazelaic acid; 2-(2-hexyldecyl)myristate Formula: C61H115O13- MolecularWeight: 1056.558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CCCCCC)CCCCCCCC)C(=O)[O-].CCCCC(CCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCC.CCC(CC)(CCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CC(CCCCCC)CCCCCCCC)C(=O)[O-].CCCCC(CCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCC.CCC(CC)(CCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C30H60O2.C18H32O7.C13H24O4/c1-4-7-10-13-15-16-17-18-20-23-26-29(30(31)32)27-28(24-21-12-9-6-3)25-22-19-14-11-8-5-2;1-4-7-10-17(15(21)22,11-8-5-2)18(16(23)24,13-14(19)20)25-12-9-6-3;1-3-13(4-2,12(16)17)10-8-6-5-7-9-11(14)15/h28-29H,4-27H2,1-3H3,(H,31,32);4-13H2,1-3H3,(H,19,20)(H,21,22)(H,23,24);3-10H2,1-2H3,(H,14,15)(H,16,17)/p-1