sodium 4-azanyl-1-[(E)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: sodium 4-azanyl-1-[(E)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: sodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxo-butane-2-sulfonic acid CAS Name: sodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxo-2-butanesulfonic acid IUPAC Name: sodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxobutane-2-sulfonic acid Traditional Name: sodium 4-amino-1,4-diketo-1-[(E)-octadec-9-enoxy]butane-2-sulfonic acid Formula: C22H41NNaO6S+ MolecularWeight: 470.61881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC(=O)N)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H41NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;/h9-10,20H,2-8,11-19H2,1H3,(H2,23,24)(H,26,27,28);/q;+1/b10-9+;