3-oxidanylidene-3aH-pyrene-1,2,4-trisulfonic acid

Systemtic Name: 3-oxidanylidene-3aH-pyrene-1,2,4-trisulfonic acid Openeye Name: 3-oxo-3aH-pyrene-1,2,4-trisulfonic acid CAS Name: 3-oxo-3aH-pyrene-1,2,4-trisulfonic acid IUPAC Name: 3-oxo-3aH-pyrene-1,2,4-trisulfonic acid Traditional Name: 3-keto-3aH-pyrene-1,2,4-trisulfonic acid Formula: C16H10O10S3 MolecularWeight: 458.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=C(C4C3=C(C=C2)C(=C(C4=O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=C(C4C3=C(C=C2)C(=C(C4=O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H10O10S3/c17-14-13-10(27(18,19)20)6-8-3-1-2-7-4-5-9(12(13)11(7)8)15(28(21,22)23)16(14)29(24,25)26/h1-6,13H,(H,18,19,20)(H,21,22,23)(H,24,25,26)