3-ethenyl-2-methyl-2-sulfo-heptanoic acid

Systemtic Name: 3-ethenyl-2-methyl-2-sulfo-heptanoic acid Openeye Name: 2-methyl-2-sulfo-3-vinyl-heptanoic acid CAS Name: 3-ethenyl-2-methyl-2-sulfoheptanoic acid IUPAC Name: 3-ethenyl-2-methyl-2-sulfoheptanoic acid Traditional Name: 3-butyl-2-methyl-2-sulfo-pent-4-enoic acid Formula: C10H18O5S MolecularWeight: 250.31192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=C)C(C)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCC(C=C)C(C)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H18O5S/c1-4-6-7-8(5-2)10(3,9(11)12)16(13,14)15/h5,8H,2,4,6-7H2,1,3H3,(H,11,12)(H,13,14,15)