2-[2-diazenyl-5-phenylsulfanyl-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid

Systemtic Name: 2-[2-diazenyl-5-phenylsulfanyl-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid Openeye Name: 2-[2-diazenyl-5-phenylsulfanyl-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid CAS Name: 2-[2-diazenyl-5-(phenylthio)-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid IUPAC Name: 2-[2-diazenyl-5-phenylsulfanyl-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid Traditional Name: 2-[2-diazenyl-5-(phenylthio)-4-(2-sulfoethoxy)phenoxy]ethanesulfonic acid Formula: C16H18N2O8S3 MolecularWeight: 462.51772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)OCCS(=O)(=O)O)N=N)OCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C(=C2)OCCS(=O)(=O)O)N=N)OCCS(=O)(=O)O

InChI

InChI=1S/C16H18N2O8S3/c17-18-13-10-15(26-7-9-29(22,23)24)16(27-12-4-2-1-3-5-12)11-14(13)25-6-8-28(19,20)21/h1-5,10-11,17H,6-9H2,(H,19,20,21)(H,22,23,24)