calcium; antimony; 2-(2-hydroxyphenyl)sulfanylethanoate; tetrahydrate

Systemtic Name: calcium; antimony; 2-(2-hydroxyphenyl)sulfanylethanoate; tetrahydrate Openeye Name: calcium; antimony; 2-(2-hydroxyphenyl)sulfanylacetate; tetrahydrate CAS Name: calcium; antimony; 2-[(2-hydroxyphenyl)thio]acetate; tetrahydrate IUPAC Name: calcium; antimony; 2-(2-hydroxyphenyl)sulfanylacetate; tetrahydrate Traditional Name: calcium; antimony; 2-[(2-hydroxyphenyl)thio]acetate; tetrahydrate Formula: C16H22CaO10S2Sb2 MolecularWeight: 722.06788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)O)SCC(=O)[O-].C1=CC=C(C(=C1)O)SCC(=O)[O-].O.O.O.O.[Ca+2].[Sb].[Sb]

Isomeric SMILES

C1=CC=C(C(=C1)O)SCC(=O)[O-].C1=CC=C(C(=C1)O)SCC(=O)[O-].O.O.O.O.[Ca+2].[Sb].[Sb]

InChI

InChI=1S/2C8H8O3S.Ca.4H2O.2Sb/c2*9-6-3-1-2-4-7(6)12-5-8(10)11;;;;;;;/h2*1-4,9H,5H2,(H,10,11);;4*1H2;;/q;;+2;;;;;;/p-2