6,6-bis(azanyl)-4-(phenylsulfonyl)cyclohexa-2,4-diene-1,1-disulfonic acid

Systemtic Name: 6,6-bis(azanyl)-4-(phenylsulfonyl)cyclohexa-2,4-diene-1,1-disulfonic acid Openeye Name: 6,6-diamino-4-(benzenesulfonyl)cyclohexa-2,4-diene-1,1-disulfonic acid CAS Name: 6,6-diamino-4-(benzenesulfonyl)cyclohexa-2,4-diene-1,1-disulfonic acid IUPAC Name: 6,6-diamino-4-(benzenesulfonyl)cyclohexa-2,4-diene-1,1-disulfonic acid Traditional Name: 6,6-diamino-4-besyl-cyclohexa-2,4-diene-1,1-disulfonic acid Formula: C12H14N2O8S3 MolecularWeight: 410.44316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC(C(C=C2)(S(=O)(=O)O)S(=O)(=O)O)(N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC(C(C=C2)(S(=O)(=O)O)S(=O)(=O)O)(N)N

InChI

InChI=1S/C12H14N2O8S3/c13-11(14)8-10(23(15,16)9-4-2-1-3-5-9)6-7-12(11,24(17,18)19)25(20,21)22/h1-8H,13-14H2,(H,17,18,19)(H,20,21,22)