2-[(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)diazenyl]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)diazenyl]-5-nitro-benzenesulfonic acid Openeye Name: 2-(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)azo-5-nitro-benzenesulfonic acid CAS Name: 2-[(5-methoxy-2-methyl-1-cyclohexa-1,5-dienyl)azo]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[(5-methoxy-2-methylcyclohexa-1,5-dien-1-yl)diazenyl]-5-nitrobenzenesulfonic acid Traditional Name: 2-(5-methoxy-2-methyl-cyclohexa-1,5-dien-1-yl)azo-5-nitro-besylic acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(CC1)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(CC1)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H15N3O6S/c1-9-3-5-11(23-2)8-13(9)16-15-12-6-4-10(17(18)19)7-14(12)24(20,21)22/h4,6-8H,3,5H2,1-2H3,(H,20,21,22)