7-[[5-(2-hydroxyethylsulfonyl)-2-oxidanyl-phenyl]amino]-3-(trioxidanylsulfanyl)naphthalen-1-ol

Systemtic Name: 7-[[5-(2-hydroxyethylsulfonyl)-2-oxidanyl-phenyl]amino]-3-(trioxidanylsulfanyl)naphthalen-1-ol Openeye Name: 7-[2-hydroxy-5-(2-hydroxyethylsulfonyl)anilino]-3-(trioxidanylsulfanyl)naphthalen-1-ol CAS Name: 4-hydroxy-6-[2-hydroxy-5-(2-hydroxyethylsulfonyl)anilino]-2-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: 7-[2-hydroxy-5-(2-hydroxyethylsulfonyl)anilino]-3-(trioxidanylsulfanyl)naphthalen-1-ol Traditional Name: 7-[2-hydroxy-5-(2-hydroxyethylsulfonyl)anilino]-3-(trioxidanylthio)-1-naphthol Formula: C18H17NO8S2 MolecularWeight: 439.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)SOOO)O)NC3=C(C=CC(=C3)S(=O)(=O)CCO)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)SOOO)O)NC3=C(C=CC(=C3)S(=O)(=O)CCO)O

InChI

InChI=1S/C18H17NO8S2/c20-5-6-29(24,25)14-3-4-17(21)16(10-14)19-12-2-1-11-7-13(28-27-26-23)9-18(22)15(11)8-12/h1-4,7-10,19-23H,5-6H2