7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-3-nitro-naphthalene-1-sulfonic acid

Systemtic Name: 7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-3-nitro-naphthalene-1-sulfonic acid Openeye Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-3-nitro-naphthalene-1-sulfonic acid CAS Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-3-nitro-1-naphthalenesulfonic acid IUPAC Name: 7-[[2-methyl-4-(methylideneamino)phenyl]diazenyl]-3-nitronaphthalene-1-sulfonic acid Traditional Name: 7-[2-methyl-4-(methyleneamino)phenyl]azo-3-nitro-naphthalene-1-sulfonic acid Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=C)N=NC2=CC3=C(C=C(C=C3C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N=C)N=NC2=CC3=C(C=C(C=C3C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H14N4O5S/c1-11-7-13(19-2)5-6-17(11)21-20-14-4-3-12-8-15(22(23)24)10-18(16(12)9-14)28(25,26)27/h3-10H,2H2,1H3,(H,25,26,27)