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

Systemtic Name: sodium 1-[(E)-4-icosoxy-4-oxidanylidene-but-2-enoyl]oxypropane-1-sulfonic acid Openeye Name: sodium 1-[(E)-4-icosoxy-4-oxo-but-2-enoyl]oxypropane-1-sulfonic acid CAS Name: sodium 1-[(E)-4-eicosoxy-1,4-dioxobut-2-enoxy]-1-propanesulfonic acid IUPAC Name: sodium 1-[(E)-4-icosoxy-4-oxobut-2-enoyl]oxypropane-1-sulfonic acid Traditional Name: sodium 1-[(E)-4-arachyloxy-4-keto-but-2-enoyl]oxypropane-1-sulfonic acid Formula: C27H50NaO7S+ MolecularWeight: 541.73647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-25(28)22-23-26(29)34-27(4-2)35(30,31)32;/h22-23,27H,3-21,24H2,1-2H3,(H,30,31,32);/q;+1/b23-22+;