2-[(E)-oct-1-enyl]-2-sulfo-butanedioic acid

Systemtic Name: 2-[(E)-oct-1-enyl]-2-sulfo-butanedioic acid Openeye Name: 2-[(E)-oct-1-enyl]-2-sulfo-butanedioic acid CAS Name: 2-[(E)-oct-1-enyl]-2-sulfobutanedioic acid IUPAC Name: 2-[(E)-oct-1-enyl]-2-sulfobutanedioic acid Traditional Name: 2-[(E)-oct-1-enyl]-2-sulfo-succinic acid Formula: C12H20O7S MolecularWeight: 308.348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC(CC(=O)O)(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC/C=C/C(CC(=O)O)(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H20O7S/c1-2-3-4-5-6-7-8-12(11(15)16,9-10(13)14)20(17,18)19/h7-8H,2-6,9H2,1H3,(H,13,14)(H,15,16)(H,17,18,19)/b8-7+