disodium 5-(ethylaminooxymethyl)-2-[[4-[4-(ethylcarbamoyl)-2-sulfonato-phenoxy]carbonylphenyl]methylperoxy]benzenesulfonate

Systemtic Name: disodium 5-(ethylaminooxymethyl)-2-[[4-[4-(ethylcarbamoyl)-2-sulfonato-phenoxy]carbonylphenyl]methylperoxy]benzenesulfonate Openeye Name: disodium 5-(ethylaminooxymethyl)-2-[[4-[4-(ethylcarbamoyl)-2-sulfonato-phenoxy]carbonylphenyl]methylperoxy]benzenesulfonate CAS Name: disodium 5-(ethylaminooxymethyl)-2-[[4-[[4-(ethylcarbamoyl)-2-sulfonatophenoxy]-oxomethyl]phenyl]methyldioxy]benzenesulfonate IUPAC Name: disodium 5-(ethylaminooxymethyl)-2-[[4-[4-(ethylcarbamoyl)-2-sulfonatophenoxy]carbonylphenyl]methylperoxy]benzenesulfonate Traditional Name: disodium 5-(ethylaminooxymethyl)-2-[4-[4-(ethylcarbamoyl)-2-sulfonato-phenoxy]carbonylbenzyl]peroxy-besylate Formula: C26H26N2Na2O12S2 MolecularWeight: 668.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)COOC3=C(C=C(C=C3)CONCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)COOC3=C(C=C(C=C3)CONCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H28N2O12S2.2Na/c1-3-27-25(29)20-10-12-21(24(14-20)42(34,35)36)39-26(30)19-8-5-17(6-9-19)16-38-40-22-11-7-18(15-37-28-4-2)13-23(22)41(31,32)33;;/h5-14,28H,3-4,15-16H2,1-2H3,(H,27,29)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2