2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-4-nitro-phenol

Systemtic Name: 2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-4-nitro-phenol Openeye Name: 2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-4-nitro-phenol CAS Name: 2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-4-nitrophenol IUPAC Name: 2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-4-nitrophenol Traditional Name: 2-methoxy-6-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-4-nitro-phenol Formula: C17H15N2O4S+ MolecularWeight: 343.377

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=CC(=C3O)OC)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC(=CC(=C3O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S/c1-18-13-5-3-4-6-15(13)24-16(18)8-7-11-9-12(19(21)22)10-14(23-2)17(11)20/h3-10H,1-2H3/p+1