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2-(5,6-dimethyl-1,3-disulfo-carbazol-9-yl)hexanoic acid

2-(5,6-dimethyl-1,3-disulfo-carbazol-9-yl)hexanoic acid

Systemtic Name:2-(5,6-dimethyl-1,3-disulfo-carbazol-9-yl)hexanoic acid
Openeye Name:2-(5,6-dimethyl-1,3-disulfo-carbazol-9-yl)hexanoic acid
CAS Name:2-(5,6-dimethyl-1,3-disulfo-9-carbazolyl)hexanoic acid
IUPAC Name:2-(5,6-dimethyl-1,3-disulfocarbazol-9-yl)hexanoic acid
Traditional Name:2-(5,6-dimethyl-1,3-disulfo-carbazol-9-yl)hexanoic acid
Formula: C20H23NO8S2
MolecularWeight: 469.52852
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C2=C(C(=C(C=C2)C)C)C3=CC(=CC(=C31)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCC(C(=O)O)N1C2=C(C(=C(C=C2)C)C)C3=CC(=CC(=C31)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C20H23NO8S2/c1-4-5-6-16(20(22)23)21-15-8-7-11(2)12(3)18(15)14-9-13(30(24,25)26)10-17(19(14)21)31(27,28)29/h7-10,16H,4-6H2,1-3H3,(H,22,23)(H,24,25,26)(H,27,28,29)


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