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pyrene-1,3,6-trisulfonic acid

pyrene-1,3,6-trisulfonic acid

Systemtic Name:pyrene-1,3,6-trisulfonic acid
Openeye Name:pyrene-1,3,6-trisulfonic acid
CAS Name:pyrene-1,3,6-trisulfonic acid
IUPAC Name:pyrene-1,3,6-trisulfonic acid
Traditional Name:pyrene-1,3,6-trisulfonic acid
Formula: C16H10O9S3
MolecularWeight: 442.4402
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O


InChI

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


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