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pyrene-1,2,3,6-tetrasulfonic acid

pyrene-1,2,3,6-tetrasulfonic acid

Systemtic Name:pyrene-1,2,3,6-tetrasulfonic acid
Openeye Name:pyrene-1,2,3,6-tetrasulfonic acid
CAS Name:pyrene-1,2,3,6-tetrasulfonic acid
IUPAC Name:pyrene-1,2,3,6-tetrasulfonic acid
Traditional Name:pyrene-1,2,3,6-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)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)S(=O)(=O)O)C=CC4=C(C=CC1=C43)S(=O)(=O)O


InChI

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


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