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2-(3,6-disulfopyren-1-yl)oxy-2-sulfo-ethanoic acid

2-(3,6-disulfopyren-1-yl)oxy-2-sulfo-ethanoic acid

Systemtic Name:2-(3,6-disulfopyren-1-yl)oxy-2-sulfo-ethanoic acid
Openeye Name:2-(3,6-disulfopyren-1-yl)oxy-2-sulfo-acetic acid
CAS Name:2-[(3,6-disulfo-1-pyrenyl)oxy]-2-sulfoacetic acid
IUPAC Name:2-(3,6-disulfopyren-1-yl)oxy-2-sulfoacetic acid
Traditional Name:2-(3,6-disulfopyren-1-yl)oxy-2-sulfo-acetic acid
Formula: C18H12O12S3
MolecularWeight: 516.47568
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2OC(C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C3C(=C(C=C2OC(C(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O


InChI

InChI=1S/C18H12O12S3/c19-17(20)18(33(27,28)29)30-12-7-14(32(24,25)26)11-5-4-10-13(31(21,22)23)6-2-8-1-3-9(12)16(11)15(8)10/h1-7,18H,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)


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