2-hept-1-en-3-yl-2-sulfo-butanedioic acid

Systemtic Name: 2-hept-1-en-3-yl-2-sulfo-butanedioic acid Openeye Name: 2-sulfo-2-(1-vinylpentyl)butanedioic acid CAS Name: 2-hept-1-en-3-yl-2-sulfobutanedioic acid IUPAC Name: 2-hept-1-en-3-yl-2-sulfobutanedioic acid Traditional Name: 2-(1-butylallyl)-2-sulfo-succinic acid Formula: C11H18O7S MolecularWeight: 294.32142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O7S/c1-3-5-6-8(4-2)11(10(14)15,7-9(12)13)19(16,17)18/h4,8H,2-3,5-7H2,1H3,(H,12,13)(H,14,15)(H,16,17,18)