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

Systemtic Name: 2-[4-(6-bromanylnaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(6-bromo-11-naphtho[3,2-b][1]benzothiolyl)phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]-3-phenyl-propionic acid Formula: C31H21BrO3S MolecularWeight: 553.46564

Click to see the large picture

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)Br

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)Br

InChI

InChI=1S/C31H21BrO3S/c32-29-23-11-5-4-10-22(23)27(28-24-12-6-7-13-26(24)36-30(28)29)20-14-16-21(17-15-20)35-25(31(33)34)18-19-8-2-1-3-9-19/h1-17,25H,18H2,(H,33,34)