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3-phenyl-2-sulfo-pentanedioate

3-phenyl-2-sulfo-pentanedioate

Systemtic Name:3-phenyl-2-sulfo-pentanedioate
Openeye Name:3-phenyl-2-sulfo-pentanedioate
CAS Name:3-phenyl-2-sulfopentanedioate
IUPAC Name:3-phenyl-2-sulfopentanedioate
Traditional Name:3-phenyl-2-sulfo-glutarate
Formula: C11H10O7S-2
MolecularWeight: 286.2579
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])C(C(=O)[O-])S(=O)(=O)O


Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)[O-])C(C(=O)[O-])S(=O)(=O)O


InChI

InChI=1S/C11H12O7S/c12-9(13)6-8(7-4-2-1-3-5-7)10(11(14)15)19(16,17)18/h1-5,8,10H,6H2,(H,12,13)(H,14,15)(H,16,17,18)/p-2


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