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2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid

2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid

Systemtic Name:2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid
Openeye Name:2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid
CAS Name:2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid
IUPAC Name:2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid
Traditional Name:2-(3,4-dimethyl-6,8-disulfo-4bH-carbazol-2-yl)hexanoic acid
Formula: C20H23NO8S2
MolecularWeight: 469.52852
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=C(C3C=C(C=C(C3=N2)S(=O)(=O)O)S(=O)(=O)O)C(=C1C)C)C(=O)O


Isomeric SMILES

CCCCC(C1=CC2=C(C3C=C(C=C(C3=N2)S(=O)(=O)O)S(=O)(=O)O)C(=C1C)C)C(=O)O


InChI

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


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