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1-(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid

1-(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid

Systemtic Name:1-(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
Openeye Name:1-(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
CAS Name:1-(2-sulfoethylthio)indolizine-6,7,8-tricarboxylic acid
IUPAC Name:1-(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
Traditional Name:1-(2-sulfoethylthio)indolizine-6,7,8-tricarboxylic acid
Formula: C13H11NO9S2
MolecularWeight: 389.35774
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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C=C(C(=C(C2=C1SCCS(=O)(=O)O)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C1=CN2C=C(C(=C(C2=C1SCCS(=O)(=O)O)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C13H11NO9S2/c15-11(16)6-5-14-2-1-7(24-3-4-25(21,22)23)10(14)9(13(19)20)8(6)12(17)18/h1-2,5H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22,23)


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