(3Z)-3-[[4-[[4-[[4-[(2Z)-2-(8-acetamido-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-3-ethoxy-7-sulfo-naphthalen-1-yl]diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[[4-[[4-[[4-[(2Z)-2-(8-acetamido-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene)hydrazinyl]-3-ethoxy-7-sulfo-naphthalen-1-yl]diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3Z)-3-[[4-[[4-[[4-[(2Z)-2-(8-acetamido-1-oxo-3,6-disulfo-2-naphthylidene)hydrazino]-3-ethoxy-7-sulfo-1-naphthyl]azo]phenyl]carbamoyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3Z)-3-[[4-[[4-[[4-[(2Z)-2-(8-acetamido-1-oxo-3,6-disulfo-2-naphthalenylidene)hydrazinyl]-3-ethoxy-7-sulfo-1-naphthalenyl]azo]anilino]-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3Z)-3-[[4-[[4-[[4-[(2Z)-2-(8-acetamido-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-3-ethoxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3Z)-3-[[4-[[4-[[4-[(N'Z)-N'-(8-acetamido-1-keto-3,6-disulfo-2-naphthylidene)hydrazino]-3-ethoxy-7-sulfo-1-naphthyl]azo]phenyl]carbamoyl]phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C44H34N8O16S3 MolecularWeight: 1026.97976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)NN=C5C=CC(=O)C(=C5)C(=O)O)NN=C6C(=CC7=CC(=CC(=C7C6=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N/N=C\5/C=CC(=O)C(=C5)C(=O)O)N/N=C/6\C(=CC7=CC(=CC(=C7C6=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C44H34N8O16S3/c1-3-68-37-21-34(50-48-27-10-8-25(9-11-27)46-43(56)23-4-6-26(7-5-23)47-49-28-12-15-36(54)33(18-28)44(57)58)32-19-29(69(59,60)61)13-14-31(32)40(37)51-52-41-38(71(65,66)67)17-24-16-30(70(62,63)64)20-35(45-22(2)53)39(24)42(41)55/h4-21,47,51H,3H2,1-2H3,(H,45,53)(H,46,56)(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/b49-28-,50-48?,52-41+