trisodium 8-[2-[2-(4-acetamidophenyl)ethanoylamino]ethanoylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate

Systemtic Name: trisodium 8-[2-[2-(4-acetamidophenyl)ethanoylamino]ethanoylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: trisodium 8-[[2-[[2-(4-acetamidophenyl)acetyl]amino]acetyl]amino]-3-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: trisodium 8-[[2-[[2-(4-acetamidophenyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: trisodium 8-[[2-[[2-(4-acetamidophenyl)acetyl]amino]acetyl]amino]-3-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: trisodium 8-[[2-[[2-(4-acetamidophenyl)acetyl]amino]acetyl]amino]-3-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C22H18N3Na3O12S3 MolecularWeight: 681.55553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H21N3O12S3.3Na/c1-12(26)24-14-4-2-13(3-5-14)8-20(27)23-11-21(28)25-17-6-7-18(39(30,31)32)16-9-15(38-37-36-29)10-19(22(16)17)40(33,34)35;;;/h2-7,9-10,29H,8,11H2,1H3,(H,23,27)(H,24,26)(H,25,28)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3