O6-[1,3-bis(oxidanyl)butyl] O1-butyl hexanedioate; (E)-4-butoxy-4-oxidanylidene-but-2-enoate

Systemtic Name: O6-[1,3-bis(oxidanyl)butyl] O1-butyl hexanedioate; (E)-4-butoxy-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-butoxy-4-oxo-but-2-enoate; O1-butyl O6-(1,3-dihydroxybutyl) hexanedioate CAS Name: (E)-4-butoxy-4-oxo-2-butenoate; hexanedioic acid O1-butyl ester O6-(1,3-dihydroxybutyl) ester IUPAC Name: (E)-4-butoxy-4-oxobut-2-enoate; 1-O-butyl 6-O-(1,3-dihydroxybutyl) hexanedioate Traditional Name: adipic acid O1-butyl ester O6-(1,3-dihydroxybutyl) ester; (E)-4-butoxy-4-keto-but-2-enoate Formula: C22H37O10- MolecularWeight: 461.52318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCC(=O)OC(CC(C)O)O.CCCCOC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCCCOC(=O)CCCCC(=O)OC(CC(C)O)O.CCCCOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C14H26O6.C8H12O4/c1-3-4-9-19-12(16)7-5-6-8-13(17)20-14(18)10-11(2)15;1-2-3-6-12-8(11)5-4-7(9)10/h11,14-15,18H,3-10H2,1-2H3;4-5H,2-3,6H2,1H3,(H,9,10)/p-1/b;5-4+