2-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[2,2-bis(1,3-benzothiazol-2-yl)vinyl]-4-chloro-6-nitro-phenolate Formula: C22H11ClN3O3S2- MolecularWeight: 464.92404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H12ClN3O3S2/c23-13-9-12(20(27)17(11-13)26(28)29)10-14(21-24-15-5-1-3-7-18(15)30-21)22-25-16-6-2-4-8-19(16)31-22/h1-11,27H/p-1