(4-methylphenyl)antimony; (2S,3S,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; dihydrate

Systemtic Name: (4-methylphenyl)antimony; (2S,3S,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; dihydrate Openeye Name: (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; p-tolylantimony; dihydrate CAS Name: (4-methylphenyl)antimony; (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; dihydrate IUPAC Name: (4-methylphenyl)antimony; (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; dihydrate Traditional Name: (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; p-tolylantimony; dihydrate Formula: C13H23O9Sb MolecularWeight: 445.07632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[Sb].C(C(C(C(C(C(=O)O)O)O)O)O)O.O.O

Isomeric SMILES

CC1=CC=C(C=C1)[Sb].C([C@H]([C@@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O.O.O

InChI

InChI=1S/C7H7.C6H12O7.2H2O.Sb/c1-7-5-3-2-4-6-7;7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h3-6H,1H3;2-5,7-11H,1H2,(H,12,13);2*1H2;/t;2-,3+,4+,5+;;;/m.1.../s1