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pyrene-1,3,6,8-tetrasulfonic acid

pyrene-1,3,6,8-tetrasulfonic acid

Systemtic Name:pyrene-1,3,6,8-tetrasulfonic acid
Openeye Name:pyrene-1,3,6,8-tetrasulfonic acid
CAS Name:pyrene-1,3,6,8-tetrasulfonic acid
IUPAC Name:pyrene-1,3,6,8-tetrasulfonic acid
Traditional Name:pyrene-1,3,6,8-tetrasulfonic acid
Formula: C16H10O12S4
MolecularWeight: 522.5034
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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=C(C1=C43)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)


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