6-ethanoylimino-7-oxidanylidene-8-[[7-sulfo-4-[2-(4-sulfophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-ethanoylimino-7-oxidanylidene-8-[[7-sulfo-4-[2-(4-sulfophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 6-acetylimino-7-oxo-8-[[7-sulfo-4-[2-(4-sulfophenyl)hydrazino]-1-naphthyl]azo]naphthalene-1,3-disulfonic acid CAS Name: 6-acetylimino-7-oxo-8-[[7-sulfo-4-[(4-sulfophenyl)hydrazo]-1-naphthalenyl]azo]naphthalene-1,3-disulfonic acid IUPAC Name: 6-acetylimino-7-oxo-8-[[7-sulfo-4-[2-(4-sulfophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 6-acetylimino-7-keto-8-[[7-sulfo-4-[N'-(4-sulfophenyl)hydrazino]-1-naphthyl]azo]naphthalene-1,3-disulfonic acid Formula: C28H21N5O14S4 MolecularWeight: 779.75144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C=C2C=C(C=C(C2=C(C1=O)N=NC3=C4C=C(C=CC4=C(C=C3)NNC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)N=C1C=C2C=C(C=C(C2=C(C1=O)N=NC3=C4C=C(C=CC4=C(C=C3)NNC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H21N5O14S4/c1-14(34)29-24-11-15-10-19(50(42,43)44)13-25(51(45,46)47)26(15)27(28(24)35)33-32-23-9-8-22(20-7-6-18(12-21(20)23)49(39,40)41)31-30-16-2-4-17(5-3-16)48(36,37)38/h2-13,30-31H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)