phenoxathiine-2,8-disulfonic acid; sodium

Systemtic Name: phenoxathiine-2,8-disulfonic acid; sodium Openeye Name: phenoxathiine-2,8-disulfonic acid; sodium CAS Name: phenoxathiine-2,8-disulfonic acid; sodium IUPAC Name: phenoxathiine-2,8-disulfonic acid; sodium Traditional Name: phenoxathiine-2,8-disulfonic acid; sodium Formula: C12H8NaO7S3 MolecularWeight: 383.37249

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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.[Na]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)SC3=C(O2)C=CC(=C3)S(=O)(=O)O.[Na]

InChI

InChI=1S/C12H8O7S3.Na/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);