calcium; carbanide; 2-sulfobenzene-1,3-dicarboxylate

Systemtic Name: calcium; carbanide; 2-sulfobenzene-1,3-dicarboxylate Openeye Name: calcium; carbanide; 2-sulfobenzene-1,3-dicarboxylate CAS Name: calcium; carbanide; 2-sulfobenzene-1,3-dicarboxylate IUPAC Name: calcium; carbanide; 2-sulfobenzene-1,3-dicarboxylate Traditional Name: calcium; carbanide; 2-sulfoisophthalate Formula: C10H10CaO7S-2 MolecularWeight: 314.3252

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

[CH3-].[CH3-].C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C8H6O7S.2CH3.Ca/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);2*1H3;/q;2*-1;+2/p-2