4-oxidanylidene-3-[5-oxidanyl-1-[2-[2-oxidanyl-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]phenyl]hydrazinyl]naphthalen-2-yl]imino-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 4-oxidanylidene-3-[5-oxidanyl-1-[2-[2-oxidanyl-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]phenyl]hydrazinyl]naphthalen-2-yl]imino-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-[[5-hydroxy-1-[2-[2-hydroxy-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]phenyl]hydrazino]-2-naphthyl]imino]-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-[[5-hydroxy-1-[[2-hydroxy-3-[[oxo-[2-(2-sulfooxyethylsulfonyl)ethylamino]methyl]amino]phenyl]hydrazo]-2-naphthalenyl]imino]-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-[5-hydroxy-1-[2-[2-hydroxy-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]phenyl]hydrazinyl]naphthalen-2-yl]imino-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-[[5-hydroxy-1-[N'-[2-hydroxy-3-[2-(2-sulfoxyethylsulfonyl)ethylcarbamoylamino]phenyl]hydrazino]-2-naphthyl]imino]-4-keto-cyclohexa-1,5-diene-1-sulfonic acid Formula: C27H27N5O13S3 MolecularWeight: 725.72398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2NNC3=CC=CC(=C3O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)N=C4C=C(C=CC4=O)S(=O)(=O)O)C(=C1)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2NNC3=CC=CC(=C3O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O)O)N=C4C=C(C=CC4=O)S(=O)(=O)O)C(=C1)O

InChI

InChI=1S/C27H27N5O13S3/c33-23-6-1-3-18-17(23)8-9-19(29-22-15-16(47(39,40)41)7-10-24(22)34)25(18)32-31-21-5-2-4-20(26(21)35)30-27(36)28-11-13-46(37,38)14-12-45-48(42,43)44/h1-10,15,31-33,35H,11-14H2,(H2,28,30,36)(H,39,40,41)(H,42,43,44)