2-(2,6-dicyano-4-naphtho[3,2-b][1]benzothiol-11-yl-phenoxy)ethanoic acid

Systemtic Name: 2-(2,6-dicyano-4-naphtho[3,2-b][1]benzothiol-11-yl-phenoxy)ethanoic acid Openeye Name: 2-(2,6-dicyano-4-naphtho[3,2-b]benzothiophen-11-yl-phenoxy)acetic acid CAS Name: 2-[2,6-dicyano-4-(11-naphtho[3,2-b][1]benzothiolyl)phenoxy]acetic acid IUPAC Name: 2-(2,6-dicyano-4-naphtho[3,2-b][1]benzothiol-11-ylphenoxy)acetic acid Traditional Name: 2-(2,6-dicyano-4-naphtho[3,2-b]benzothiophen-11-yl-phenoxy)acetic acid Formula: C26H14N2O3S MolecularWeight: 434.46596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C(=C2C4=CC(=C(C(=C4)C#N)OCC(=O)O)C#N)C5=CC=CC=C5S3

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C(=C2C4=CC(=C(C(=C4)C#N)OCC(=O)O)C#N)C5=CC=CC=C5S3

InChI

InChI=1S/C26H14N2O3S/c27-12-17-9-16(10-18(13-28)26(17)31-14-23(29)30)24-19-6-2-1-5-15(19)11-22-25(24)20-7-3-4-8-21(20)32-22/h1-11H,14H2,(H,29,30)