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sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate

sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate

Systemtic Name:sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate
Openeye Name:sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate
CAS Name:sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate
IUPAC Name:sodium; 2-sulfobenzene-1,3-dicarboxylate; terephthalate
Traditional Name:sodium; 2-sulfoisophthalate; terephthalate
Formula: C16H8NaO11S-3
MolecularWeight: 431.28289
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+]


Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)[O-])S(=O)(=O)O)C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+]


InChI

InChI=1S/C8H6O7S.C8H6O4.Na/c9-7(10)4-2-1-3-5(8(11)12)6(4)16(13,14)15;9-7(10)5-1-2-6(4-3-5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-4H,(H,9,10)(H,11,12);/q;;+1/p-4


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