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2,3-bis(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid

2,3-bis(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid

Systemtic Name:2,3-bis(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
Openeye Name:2,3-bis(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
CAS Name:2,3-bis(2-sulfoethylthio)indolizine-6,7,8-tricarboxylic acid
IUPAC Name:2,3-bis(2-sulfoethylsulfanyl)indolizine-6,7,8-tricarboxylic acid
Traditional Name:2,3-bis(2-sulfoethylthio)indolizine-6,7,8-tricarboxylic acid
Formula: C15H15NO12S4
MolecularWeight: 529.5391
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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=CN2C(=C1SCCS(=O)(=O)O)SCCS(=O)(=O)O)C(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C1=C2C(=C(C(=CN2C(=C1SCCS(=O)(=O)O)SCCS(=O)(=O)O)C(=O)O)C(=O)O)C(=O)O


InChI

InChI=1S/C15H15NO12S4/c17-13(18)7-6-16-8(11(15(21)22)10(7)14(19)20)5-9(29-1-3-31(23,24)25)12(16)30-2-4-32(26,27)28/h5-6H,1-4H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24,25)(H,26,27,28)


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