(Z)-4-butoxy-4-oxidanylidene-but-2-enoic acid; chloranylethene; dibutyl (Z)-but-2-enedioate

Systemtic Name: (Z)-4-butoxy-4-oxidanylidene-but-2-enoic acid; chloranylethene; dibutyl (Z)-but-2-enedioate Openeye Name: (Z)-4-butoxy-4-oxo-but-2-enoic acid; chloroethylene; dibutyl (Z)-but-2-enedioate CAS Name: (Z)-2-butenedioic acid dibutyl ester; (Z)-4-butoxy-4-oxo-2-butenoic acid; chloroethene IUPAC Name: (Z)-4-butoxy-4-oxobut-2-enoic acid; chloroethene; dibutyl (Z)-but-2-enedioate Traditional Name: (Z)-but-2-enedioic acid dibutyl ester; (Z)-4-butoxy-4-keto-but-2-enoic acid; chloroethylene Formula: C22H35ClO8 MolecularWeight: 462.9615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC(=O)O.CCCCOC(=O)C=CC(=O)OCCCC.C=CCl

Isomeric SMILES

CCCCOC(=O)/C=C\C(=O)O.CCCCOC(=O)/C=C\C(=O)OCCCC.C=CCl

InChI

InChI=1S/C12H20O4.C8H12O4.C2H3Cl/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-2-3-6-12-8(11)5-4-7(9)10;1-2-3/h7-8H,3-6,9-10H2,1-2H3;4-5H,2-3,6H2,1H3,(H,9,10);2H,1H2/b8-7-;5-4-;