(E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-ene-3-sulfonic acid; [2,3-bis(hydroxymethyl)-5-oxidanyl-pentyl]phosphanium

Systemtic Name: (E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-ene-3-sulfonic acid; [2,3-bis(hydroxymethyl)-5-oxidanyl-pentyl]phosphanium Openeye Name: (E)-6-amino-5-methyl-6-oxo-hex-4-ene-3-sulfonic acid; [5-hydroxy-2,3-bis(hydroxymethyl)pentyl]phosphonium CAS Name: (E)-6-amino-5-methyl-6-oxo-4-hexene-3-sulfonic acid; [5-hydroxy-2,3-bis(hydroxymethyl)pentyl]phosphonium IUPAC Name: (E)-6-amino-5-methyl-6-oxohex-4-ene-3-sulfonic acid; [5-hydroxy-2,3-bis(hydroxymethyl)pentyl]phosphanium Traditional Name: (E)-6-amino-6-keto-5-methyl-hex-4-ene-3-sulfonic acid; (5-hydroxy-2,3-dimethylol-pentyl)phosphonium Formula: C14H31NO7PS+ MolecularWeight: 388.437201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C)C(=O)N)S(=O)(=O)O.C(CO)C(CO)C(CO)C[PH3+]

Isomeric SMILES

CCC(/C=C(\C)/C(=O)N)S(=O)(=O)O.C(CO)C(CO)C(CO)C[PH3+]

InChI

InChI=1S/C7H13NO4S.C7H17O3P/c1-3-6(13(10,11)12)4-5(2)7(8)9;8-2-1-6(3-9)7(4-10)5-11/h4,6H,3H2,1-2H3,(H2,8,9)(H,10,11,12);6-10H,1-5,11H2/p+1/b5-4+;