5,11-diethyl-7-(2-ethylhexyl)-8-oxidanyl-pentadecane-6,7,8-tricarboxylic acid

Systemtic Name: 5,11-diethyl-7-(2-ethylhexyl)-8-oxidanyl-pentadecane-6,7,8-tricarboxylic acid Openeye Name: 5,11-diethyl-7-(2-ethylhexyl)-8-hydroxy-pentadecane-6,7,8-tricarboxylic acid CAS Name: 5,11-diethyl-7-(2-ethylhexyl)-8-hydroxypentadecane-6,7,8-tricarboxylic acid IUPAC Name: 5,11-diethyl-7-(2-ethylhexyl)-8-hydroxypentadecane-6,7,8-tricarboxylic acid Traditional Name: 5,11-diethyl-7-(2-ethylhexyl)-8-hydroxy-pentadecane-6,7,8-tricarboxylic acid Formula: C30H56O7 MolecularWeight: 528.76144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56O7/c1-7-13-16-22(10-4)19-25(26(31)32)30(37,28(35)36)29(27(33)34,20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-25,37H,7-21H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)