sodium 4-decoxy-1-(decylamino)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-decoxy-1-(decylamino)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-decoxy-1-(decylamino)-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-decoxy-1-(decylamino)-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-decoxy-1-(decylamino)-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-decoxy-1-(decylamino)-1,4-diketo-butane-2-sulfonate Formula: C24H46NNaO6S MolecularWeight: 499.67991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C(CC(=O)OCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCNC(=O)C(CC(=O)OCCCCCCCCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H47NO6S.Na/c1-3-5-7-9-11-13-15-17-19-25-24(27)22(32(28,29)30)21-23(26)31-20-18-16-14-12-10-8-6-4-2;/h22H,3-21H2,1-2H3,(H,25,27)(H,28,29,30);/q;+1/p-1