pyrene-1,4,6-trisulfonic acid

Systemtic Name: pyrene-1,4,6-trisulfonic acid Openeye Name: pyrene-1,4,6-trisulfonic acid CAS Name: pyrene-1,4,6-trisulfonic acid IUPAC Name: pyrene-1,4,6-trisulfonic acid Traditional Name: pyrene-1,4,6-trisulfonic acid Formula: C16H10O9S3 MolecularWeight: 442.4402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H10O9S3/c17-26(18,19)12-6-4-10-14(28(23,24)25)7-11-13(27(20,21)22)5-2-8-1-3-9(12)16(10)15(8)11/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25)