O6-[1,4-bis(oxidanyl)butyl] O1-butyl hexanedioate; 2-butoxycarbonylbenzoate

Systemtic Name: O6-[1,4-bis(oxidanyl)butyl] O1-butyl hexanedioate; 2-butoxycarbonylbenzoate Openeye Name: 2-butoxycarbonylbenzoate; O1-butyl O6-(1,4-dihydroxybutyl) hexanedioate CAS Name: 2-[butoxy(oxo)methyl]benzoate; hexanedioic acid O1-butyl ester O6-(1,4-dihydroxybutyl) ester IUPAC Name: 2-butoxycarbonylbenzoate; 1-O-butyl 6-O-(1,4-dihydroxybutyl) hexanedioate Traditional Name: adipic acid O1-butyl ester O6-(1,4-dihydroxybutyl) ester; 2-butoxycarbonylbenzoate Formula: C26H39O10- MolecularWeight: 511.58186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCC(=O)OC(CCCO)O.CCCCOC(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)CCCCC(=O)OC(CCCO)O.CCCCOC(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C14H26O6.C12H14O4/c1-2-3-11-19-12(16)7-4-5-8-13(17)20-14(18)9-6-10-15;1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h14-15,18H,2-11H2,1H3;4-7H,2-3,8H2,1H3,(H,13,14)/p-1