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

Systemtic Name: phenyl-[1,1,4-tris(oxidanylidene)-2-pentyl-1$l^{6},2-benzothiazin-3-ylidene]methanolate Openeye Name: phenyl-(1,1,4-trioxo-2-pentyl-1$l^{6},2-benzothiazin-3-ylidene)methanolate CAS Name: phenyl-(1,1,4-trioxo-2-pentyl-1$l^{6},2-benzothiazin-3-ylidene)methanolate IUPAC Name: phenyl-(1,1,4-trioxo-2-pentyl-1$l^{6},2-benzothiazin-3-ylidene)methanolate Traditional Name: (2-amyl-1,1,4-triketo-1$l^{6},2-benzothiazin-3-ylidene)-phenyl-methanolate Formula: C20H20NO4S- MolecularWeight: 370.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C2=CC=CC=C2)[O-])C(=O)C3=CC=CC=C3S1(=O)=O

Isomeric SMILES

CCCCCN1C(=C(C2=CC=CC=C2)[O-])C(=O)C3=CC=CC=C3S1(=O)=O

InChI

InChI=1S/C20H21NO4S/c1-2-3-9-14-21-18(19(22)15-10-5-4-6-11-15)20(23)16-12-7-8-13-17(16)26(21,24)25/h4-8,10-13,22H,2-3,9,14H2,1H3/p-1