2-(1,3-benzothiazol-2-yl)-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-6-nitro-phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-6-nitrophenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-benzyl-6-nitro-phenolate Formula: C20H13N2O3S- MolecularWeight: 361.39382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C3=NC4=CC=CC=C4S3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O3S/c23-19-15(20-21-16-8-4-5-9-18(16)26-20)11-14(12-17(19)22(24)25)10-13-6-2-1-3-7-13/h1-9,11-12,23H,10H2/p-1