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

Systemtic Name: sodium 1-decoxy-1,4-bis(oxidanylidene)-4-pentoxy-butane-2-sulfonate Openeye Name: sodium 1-decoxy-1,4-dioxo-4-pentoxy-butane-2-sulfonate CAS Name: sodium 1-decoxy-1,4-dioxo-4-pentoxy-2-butanesulfonate IUPAC Name: sodium 1-decoxy-1,4-dioxo-4-pentoxybutane-2-sulfonate Traditional Name: sodium 4-amoxy-1-decoxy-1,4-diketo-butane-2-sulfonate Formula: C19H35NaO7S MolecularWeight: 430.53177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36O7S.Na/c1-3-5-7-8-9-10-11-13-15-26-19(21)17(27(22,23)24)16-18(20)25-14-12-6-4-2;/h17H,3-16H2,1-2H3,(H,22,23,24);/q;+1/p-1