2-[(4,7-dimethylnaphthalen-1-yl)diazenyl]-5-[(5-fluoranyl-4-methyl-2-nitro-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-[(4,7-dimethylnaphthalen-1-yl)diazenyl]-5-[(5-fluoranyl-4-methyl-2-nitro-phenyl)amino]benzenesulfonic acid Openeye Name: 2-[(4,7-dimethyl-1-naphthyl)azo]-5-(5-fluoro-4-methyl-2-nitro-anilino)benzenesulfonic acid CAS Name: 2-[(4,7-dimethyl-1-naphthalenyl)azo]-5-(5-fluoro-4-methyl-2-nitroanilino)benzenesulfonic acid IUPAC Name: 2-[(4,7-dimethylnaphthalen-1-yl)diazenyl]-5-(5-fluoro-4-methyl-2-nitroanilino)benzenesulfonic acid Traditional Name: 2-[(4,7-dimethyl-1-naphthyl)azo]-5-(5-fluoro-4-methyl-2-nitro-anilino)besylic acid Formula: C25H21FN4O5S MolecularWeight: 508.521443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2C=C1)C)N=NC3=C(C=C(C=C3)NC4=C(C=C(C(=C4)F)C)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2C=C1)C)N=NC3=C(C=C(C=C3)NC4=C(C=C(C(=C4)F)C)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C25H21FN4O5S/c1-14-4-7-18-15(2)5-8-21(19(18)10-14)28-29-22-9-6-17(12-25(22)36(33,34)35)27-23-13-20(26)16(3)11-24(23)30(31)32/h4-13,27H,1-3H3,(H,33,34,35)