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6-methoxypyrene-1,2,3-trisulfonic acid

6-methoxypyrene-1,2,3-trisulfonic acid

Systemtic Name:6-methoxypyrene-1,2,3-trisulfonic acid
Openeye Name:6-methoxypyrene-1,2,3-trisulfonic acid
CAS Name:6-methoxypyrene-1,2,3-trisulfonic acid
IUPAC Name:6-methoxypyrene-1,2,3-trisulfonic acid
Traditional Name:6-methoxypyrene-1,2,3-trisulfonic acid
Formula: C17H12O10S3
MolecularWeight: 472.46618
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC3=C(C(=C(C4=C3C2=C(C=C4)C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

COC1=C2C=CC3=C(C(=C(C4=C3C2=C(C=C4)C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C17H12O10S3/c1-27-12-7-3-8-2-4-10-14-11(6-5-9(12)13(8)14)16(29(21,22)23)17(30(24,25)26)15(10)28(18,19)20/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)


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