sodium 4-dodecoxy-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-dodecoxy-1-oxidanyl-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-dodecoxy-1-hydroxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-dodecoxy-1-hydroxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-dodecoxy-1-hydroxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 1-hydroxy-1,4-diketo-4-lauryloxy-butane-2-sulfonate Formula: C16H29NaO7S MolecularWeight: 388.45203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-15(17)13-14(16(18)19)24(20,21)22;/h14H,2-13H2,1H3,(H,18,19)(H,20,21,22);/q;+1/p-1