(3Z)-3-[[4-[[4-[(2E)-2-[(6E)-4,5-bis(oxidanylidene)-6-[(E)-[6-oxidanylidene-3-[2-(3-sulfophenyl)hydrazinyl]cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[[4-[[4-[(2E)-2-[(6E)-4,5-bis(oxidanylidene)-6-[(E)-[6-oxidanylidene-3-[2-(3-sulfophenyl)hydrazinyl]cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3Z)-3-[[4-[[4-[(2E)-2-[(6E)-4,5-dioxo-6-[(E)-[6-oxo-3-[2-(3-sulfophenyl)hydrazino]cyclohexa-2,4-dien-1-ylidene]hydrazono]cyclohex-2-en-1-ylidene]hydrazino]phenyl]carbamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3Z)-3-[[4-[[4-[(2E)-2-[(6E)-4,5-dioxo-6-[(E)-[6-oxo-3-[(3-sulfophenyl)hydrazo]-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-1-cyclohex-2-enylidene]hydrazinyl]anilino]-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3Z)-3-[[4-[[4-[(2E)-2-[(6E)-4,5-dioxo-6-[(E)-[6-oxo-3-[2-(3-sulfophenyl)hydrazinyl]cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3Z)-3-[[4-[[4-[(N'E)-N'-[(6E)-4,5-diketo-6-[(E)-[6-keto-3-[N'-(3-sulfophenyl)hydrazino]cyclohexa-2,4-dien-1-ylidene]hydrazono]cyclohex-2-en-1-ylidene]hydrazino]phenyl]carbamoyl]phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C38H27N9O10S MolecularWeight: 801.74028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NNC2=CC(=NN=C3C(=NNC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)NN=C6C=CC(=O)C(=C6)C(=O)O)C=CC(=O)C3=O)C(=O)C=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NNC2=C/C(=N\N=C\3/C(=N/NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)N/N=C\6/C=CC(=O)C(=C6)C(=O)O)/C=CC(=O)C3=O)/C(=O)C=C2

InChI

InChI=1S/C38H27N9O10S/c48-32-15-12-26(19-29(32)38(53)54)43-40-23-6-4-21(5-7-23)37(52)39-22-8-10-24(11-9-22)41-45-30-14-17-34(50)36(51)35(30)47-46-31-20-27(13-16-33(31)49)44-42-25-2-1-3-28(18-25)58(55,56)57/h1-20,40-42,44H,(H,39,52)(H,53,54)(H,55,56,57)/b43-26-,45-30+,46-31+,47-35+