2-(1,3-benzothiazol-3-ium-3-yl)ethanoic acid; tetraphenylboranuide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)ethanoic acid; tetraphenylboranuide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid; tetraphenylboranuide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid; tetraphenylboranuide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid; tetraphenylboranuide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid; tetraphenylboranuide Formula: C33H28BNO2S MolecularWeight: 513.45692

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O

InChI

InChI=1S/C24H20B.C9H7NO2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;11-9(12)5-10-6-13-8-4-2-1-3-7(8)10/h1-20H;1-4,6H,5H2/q-1;/p+1