dioxidanyl 2-[[5-acetamido-2-methoxy-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]-ethyl-amino]ethanesulfinate

Systemtic Name: dioxidanyl 2-[[5-acetamido-2-methoxy-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]-ethyl-amino]ethanesulfinate Openeye Name: hydroperoxy 2-[5-acetamido-N-ethyl-2-methoxy-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-anilino]ethanesulfinate CAS Name: 2-[5-acetamido-N-ethyl-2-methoxy-4-[4-(2-sulfooxyethylsulfonyl)phenyl]azoanilino]ethanesulfinic acid hydroperoxy ester IUPAC Name: hydroperoxy 2-[5-acetamido-N-ethyl-2-methoxy-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]anilino]ethanesulfinate Traditional Name: 2-[5-acetamido-N-ethyl-2-methoxy-4-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-anilino]ethanesulfinic acid hydroperoxy ester Formula: C21H28N4O12S3 MolecularWeight: 624.66162

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCS(=O)OOO)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)OC

Isomeric SMILES

CCN(CCS(=O)OOO)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)OC

InChI

InChI=1S/C21H28N4O12S3/c1-4-25(9-11-38(28)37-36-27)20-13-18(22-15(2)26)19(14-21(20)34-3)24-23-16-5-7-17(8-6-16)39(29,30)12-10-35-40(31,32)33/h5-8,13-14,27H,4,9-12H2,1-3H3,(H,22,26)(H,31,32,33)