butane; butanedioate; 3-chloranyl-3-oxidanylidene-propanoate

Systemtic Name: butane; butanedioate; 3-chloranyl-3-oxidanylidene-propanoate Openeye Name: butane; butanedioate; 3-chloro-3-oxo-propanoate CAS Name: butane; butanedioate; 3-chloro-3-oxopropanoate IUPAC Name: butane; butanedioate; 3-chloro-3-oxopropanoate Traditional Name: 3-chloro-3-keto-propionate; n-butane; succinate Formula: C15H26ClO7-3 MolecularWeight: 353.81574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CCCC.C(CC(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)Cl

Isomeric SMILES

CCCC.CCCC.C(CC(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)Cl

InChI

InChI=1S/C4H6O4.2C4H10.C3H3ClO3/c5-3(6)1-2-4(7)8;2*1-3-4-2;4-2(5)1-3(6)7/h1-2H2,(H,5,6)(H,7,8);2*3-4H2,1-2H3;1H2,(H,6,7)/p-3