azanium 4-octadecoxy-2-oxidanyl-1,4-bis(oxidanylidene)-3-prop-2-enoxy-1-propoxy-butane-2-sulfonate

Systemtic Name: azanium 4-octadecoxy-2-oxidanyl-1,4-bis(oxidanylidene)-3-prop-2-enoxy-1-propoxy-butane-2-sulfonate Openeye Name: ammonium 3-allyloxy-2-hydroxy-4-octadecoxy-1,4-dioxo-1-propoxy-butane-2-sulfonate CAS Name: ammonium 2-hydroxy-4-octadecoxy-1,4-dioxo-3-prop-2-enoxy-1-propoxy-2-butanesulfonate IUPAC Name: azanium 2-hydroxy-4-octadecoxy-1,4-dioxo-3-prop-2-enoxy-1-propoxybutane-2-sulfonate Traditional Name: ammonium 3-allyloxy-2-hydroxy-1,4-diketo-1-propoxy-4-stearyloxy-butane-2-sulfonate Formula: C28H55NO9S MolecularWeight: 581.8026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCC)(O)S(=O)(=O)[O-])OCC=C.[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(=O)OCCC)(O)S(=O)(=O)[O-])OCC=C.[NH4+]

InChI

InChI=1S/C28H52O9S.H3N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-26(29)25(35-22-5-2)28(31,38(32,33)34)27(30)37-23-6-3;/h5,25,31H,2,4,6-24H2,1,3H3,(H,32,33,34);1H3