7-(5-carboxylatoheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioate

Systemtic Name: 7-(5-carboxylatoheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioate Openeye Name: 7-(5-carboxylatoheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyl-tridecanedioate CAS Name: 7-(5-carboxylatoheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyltridecanedioate IUPAC Name: 7-(5-carboxylatoheptyl)-7-(2,2-dimethylpropyl)-2,12-diethyltridecanedioate Traditional Name: 7-(5-carboxylatoheptyl)-2,12-diethyl-7-neopentyl-brassylate Formula: C30H53O6-3 MolecularWeight: 509.73822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(CCCCC(CC)C(=O)[O-])(CCCCC(CC)C(=O)[O-])CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCC(CCCCC(CCCCC(CC)C(=O)[O-])(CCCCC(CC)C(=O)[O-])CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C30H56O6/c1-7-23(26(31)32)16-10-13-19-30(22-29(4,5)6,20-14-11-17-24(8-2)27(33)34)21-15-12-18-25(9-3)28(35)36/h23-25H,7-22H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)/p-3