O6-[(2R,5S)-2-butyl-5-propyl-nonyl] O1-[(4R,5S)-4-butyl-5-propyl-nonyl] hexanedioate

Systemtic Name: O6-[(2R,5S)-2-butyl-5-propyl-nonyl] O1-[(4R,5S)-4-butyl-5-propyl-nonyl] hexanedioate Openeye Name: O6-[(2R,5S)-2-butyl-5-propyl-nonyl] O1-[(4R,5S)-4-butyl-5-propyl-nonyl] hexanedioate CAS Name: hexanedioic acid O6-[(2R,5S)-2-butyl-5-propylnonyl] ester O1-[(4R,5S)-4-butyl-5-propylnonyl] ester IUPAC Name: 6-O-[(2R,5S)-2-butyl-5-propylnonyl] 1-O-[(4R,5S)-4-butyl-5-propylnonyl] hexanedioate Traditional Name: adipic acid O6-[(2R,5S)-2-butyl-5-propyl-nonyl] ester O1-[(4R,5S)-4-butyl-5-propyl-nonyl] ester Formula: C38H74O4 MolecularWeight: 594.99176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)CCC(CCCC)COC(=O)CCCCC(=O)OCCCC(CCCC)C(CCC)CCCC

Isomeric SMILES

CCCC[C@H](CCC)CC[C@@H](CCCC)COC(=O)CCCCC(=O)OCCC[C@@H](CCCC)[C@@H](CCC)CCCC

InChI

InChI=1S/C38H74O4/c1-7-13-22-33(20-11-5)29-30-34(23-14-8-2)32-42-38(40)28-18-17-27-37(39)41-31-19-26-36(25-16-10-4)35(21-12-6)24-15-9-3/h33-36H,7-32H2,1-6H3/t33-,34+,35-,36+/m0/s1