[2-butyl-1,1,4-tris(oxidanylidene)-1$l^{6},2-benzothiazin-3-ylidene]-phenyl-methanolate

Systemtic Name: [2-butyl-1,1,4-tris(oxidanylidene)-1$l^{6},2-benzothiazin-3-ylidene]-phenyl-methanolate Openeye Name: (2-butyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)-phenyl-methanolate CAS Name: (2-butyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)-phenylmethanolate IUPAC Name: (2-butyl-1,1,4-trioxo-1$l^{6},2-benzothiazin-3-ylidene)-phenylmethanolate Traditional Name: (2-butyl-1,1,4-triketo-1$l^{6},2-benzothiazin-3-ylidene)-phenyl-methanolate Formula: C19H18NO4S- MolecularWeight: 356.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C2)[O-])C(=O)C3=CC=CC=C3S1(=O)=O

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C2)[O-])C(=O)C3=CC=CC=C3S1(=O)=O

InChI

InChI=1S/C19H19NO4S/c1-2-3-13-20-17(18(21)14-9-5-4-6-10-14)19(22)15-11-7-8-12-16(15)25(20,23)24/h4-12,21H,2-3,13H2,1H3/p-1