2-[4-(6-cyanonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(6-cyanonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(6-cyanonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(6-cyano-11-naphtho[3,2-b][1]benzothiolyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(6-cyanonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(6-cyanonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]-3-phenyl-propionic acid Formula: C32H21NO3S MolecularWeight: 499.57904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=C4C5=CC=CC=C5SC4=C(C6=CC=CC=C63)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=C4C5=CC=CC=C5SC4=C(C6=CC=CC=C63)C#N

InChI

InChI=1S/C32H21NO3S/c33-19-26-23-10-4-5-11-24(23)29(30-25-12-6-7-13-28(25)37-31(26)30)21-14-16-22(17-15-21)36-27(32(34)35)18-20-8-2-1-3-9-20/h1-17,27H,18H2,(H,34,35)