2-methoxy-6-sulfo-4-[[7-sulfo-3-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-diazonium

Systemtic Name: 2-methoxy-6-sulfo-4-[[7-sulfo-3-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-diazonium Openeye Name: 2-methoxy-6-sulfo-4-[[7-sulfo-3-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-diazonium CAS Name: 2-methoxy-6-sulfo-4-[[7-sulfo-3-(3-sulfophenyl)azo-1-naphthalenyl]azo]-1-naphthalenediazonium IUPAC Name: 2-methoxy-6-sulfo-4-[[7-sulfo-3-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-diazonium Traditional Name: 2-methoxy-6-sulfo-4-[[7-sulfo-3-(3-sulfophenyl)azo-1-naphthyl]azo]naphthalene-1-diazonium Formula: C27H19N6O10S3+ MolecularWeight: 683.66896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C4C=C(C=CC4=CC(=C3)N=NC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)[N+]#N

Isomeric SMILES

COC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C4C=C(C=CC4=CC(=C3)N=NC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)[N+]#N

InChI

InChI=1S/C27H18N6O10S3/c1-43-26-14-25(23-13-20(46(40,41)42)7-8-21(23)27(26)29-28)33-32-24-11-17(9-15-5-6-19(12-22(15)24)45(37,38)39)31-30-16-3-2-4-18(10-16)44(34,35)36/h2-14H,1H3,(H2-,34,35,36,37,38,39,40,41,42)/p+1