sodium 1-[(E)-4-oxidanylidene-4-tridecoxy-but-2-enoyl]oxypropane-1-sulfonic acid

Systemtic Name: sodium 1-[(E)-4-oxidanylidene-4-tridecoxy-but-2-enoyl]oxypropane-1-sulfonic acid Openeye Name: sodium 1-[(E)-4-oxo-4-tridecoxy-but-2-enoyl]oxypropane-1-sulfonic acid CAS Name: sodium 1-[(E)-1,4-dioxo-4-tridecoxybut-2-enoxy]-1-propanesulfonic acid IUPAC Name: sodium 1-[(E)-4-oxo-4-tridecoxybut-2-enoyl]oxypropane-1-sulfonic acid Traditional Name: sodium 1-[(E)-4-keto-4-tridecoxy-but-2-enoyl]oxypropane-1-sulfonic acid Formula: C20H36NaO7S+ MolecularWeight: 443.55041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)C=CC(=O)OC(CC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)/C=C/C(=O)OC(CC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H36O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-17-26-18(21)15-16-19(22)27-20(4-2)28(23,24)25;/h15-16,20H,3-14,17H2,1-2H3,(H,23,24,25);/q;+1/b16-15+;