disodium 4-azanyl-1-[(E)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium 4-azanyl-1-[(E)-octadec-9-enoxy]-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxo-butane-2-sulfonate CAS Name: disodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium 4-amino-1-[(E)-octadec-9-enoxy]-1,4-dioxobutane-2-sulfonate Traditional Name: disodium 4-amino-1,4-diketo-1-[(E)-octadec-9-enoxy]butane-2-sulfonate Formula: C44H80N2Na2O12S2 MolecularWeight: 939.22174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H41NO6S.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h2*9-10,20H,2-8,11-19H2,1H3,(H2,23,24)(H,26,27,28);;/q;;2*+1/p-2/b2*10-9+;;