sodium; but-3-enoic acid; butyl prop-2-enoate; ethenesulfonate; ethenyl 7,7-dimethyloctanoate

Systemtic Name: sodium; but-3-enoic acid; butyl prop-2-enoate; ethenesulfonate; ethenyl 7,7-dimethyloctanoate Openeye Name: sodium; but-3-enoic acid; butyl prop-2-enoate; ethenesulfonate; vinyl 7,7-dimethyloctanoate CAS Name: sodium; 3-butenoic acid; 7,7-dimethyloctanoic acid ethenyl ester; ethenesulfonate; 2-propenoic acid butyl ester IUPAC Name: sodium; but-3-enoic acid; butyl prop-2-enoate; ethenesulfonate; ethenyl 7,7-dimethyloctanoate Traditional Name: sodium; acrylic acid butyl ester; but-3-enoic acid; 7,7-dimethylcaprylic acid vinyl ester; ethenesulfonate Formula: C25H43NaO9S MolecularWeight: 542.65829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.CC(C)(C)CCCCCC(=O)OC=C.C=CCC(=O)O.C=CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC(=O)C=C.CC(C)(C)CCCCCC(=O)OC=C.C=CCC(=O)O.C=CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H22O2.C7H12O2.C4H6O2.C2H4O3S.Na/c1-5-14-11(13)9-7-6-8-10-12(2,3)4;1-3-5-6-9-7(8)4-2;1-2-3-4(5)6;1-2-6(3,4)5;/h5H,1,6-10H2,2-4H3;4H,2-3,5-6H2,1H3;2H,1,3H2,(H,5,6);2H,1H2,(H,3,4,5);/q;;;;+1/p-1