ethenesulfonic acid; (E)-2-methylbut-2-enoate; (Z)-2-methylnon-2-enoate

Systemtic Name: ethenesulfonic acid; (E)-2-methylbut-2-enoate; (Z)-2-methylnon-2-enoate Openeye Name: ethenesulfonic acid; (E)-2-methylbut-2-enoate; (Z)-2-methylnon-2-enoate CAS Name: ethenesulfonic acid; (E)-2-methyl-2-butenoate; (Z)-2-methyl-2-nonenoate IUPAC Name: ethenesulfonic acid; (E)-2-methylbut-2-enoate; (Z)-2-methylnon-2-enoate Traditional Name: ethenesulfonic acid; (E)-2-methylbut-2-enoate; (Z)-2-methylnon-2-enoate Formula: C17H28O7S-2 MolecularWeight: 376.46502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=C(C)C(=O)[O-].CC=C(C)C(=O)[O-].C=CS(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C(/C)\C(=O)[O-].C/C=C(\C)/C(=O)[O-].C=CS(=O)(=O)O

InChI

InChI=1S/C10H18O2.C5H8O2.C2H4O3S/c1-3-4-5-6-7-8-9(2)10(11)12;1-3-4(2)5(6)7;1-2-6(3,4)5/h8H,3-7H2,1-2H3,(H,11,12);3H,1-2H3,(H,6,7);2H,1H2,(H,3,4,5)/p-2/b9-8-;4-3+;