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phenoxathiine-2,8-disulfonic acid

phenoxathiine-2,8-disulfonic acid

Systemtic Name:phenoxathiine-2,8-disulfonic acid
Openeye Name:phenoxathiine-2,8-disulfonic acid
CAS Name:phenoxathiine-2,8-disulfonic acid
IUPAC Name:phenoxathiine-2,8-disulfonic acid
Traditional Name:phenoxathiine-2,8-disulfonic acid
Formula: C12H8O7S3
MolecularWeight: 360.38272
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)SC3=C(O2)C=CC(=C3)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)SC3=C(O2)C=CC(=C3)S(=O)(=O)O


InChI

InChI=1S/C12H8O7S3/c13-21(14,15)7-1-3-9-11(5-7)20-12-6-8(22(16,17)18)2-4-10(12)19-9/h1-6H,(H,13,14,15)(H,16,17,18)


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