2-[4-oxidanyl-3-[[8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-oxidanyl-3-[[8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-hydroxy-3-[[8-hydroxy-6-(trioxidanylsulfanyl)-2-naphthyl]amino]phenyl]sulfonylethyl hydrogen sulfate CAS Name: 4-hydroxy-6-[2-hydroxy-5-(2-sulfooxyethylsulfonyl)anilino]-2-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: 2-[4-hydroxy-3-[[8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-hydroxy-3-[[8-hydroxy-6-(trioxidanylthio)-2-naphthyl]amino]phenyl]sulfonylethyl ester Formula: C18H17NO11S3 MolecularWeight: 519.52268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO11S3/c20-17-4-3-14(32(23,24)6-5-28-33(25,26)27)10-16(17)19-12-2-1-11-7-13(31-30-29-22)9-18(21)15(11)8-12/h1-4,7-10,19-22H,5-6H2,(H,25,26,27)