2-[3-bromanyl-5-(6-bromanylnaphtho[3,2-b][1]benzothiol-11-yl)-2-methoxy-phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-bromanyl-5-(6-bromanylnaphtho[3,2-b][1]benzothiol-11-yl)-2-methoxy-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[3-bromo-5-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)-2-methoxy-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[3-bromo-5-(6-bromo-11-naphtho[3,2-b][1]benzothiolyl)-2-methoxyphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[3-bromo-5-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)-2-methoxyphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[3-bromo-5-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)-2-methoxy-phenoxy]-3-phenyl-propionic acid Formula: C32H22Br2O4S MolecularWeight: 662.38768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C2=C3C4=CC=CC=C4SC3=C(C5=CC=CC=C52)Br)OC(CC6=CC=CC=C6)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1Br)C2=C3C4=CC=CC=C4SC3=C(C5=CC=CC=C52)Br)OC(CC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C32H22Br2O4S/c1-37-30-23(33)16-19(17-24(30)38-25(32(35)36)15-18-9-3-2-4-10-18)27-20-11-5-6-12-21(20)29(34)31-28(27)22-13-7-8-14-26(22)39-31/h2-14,16-17,25H,15H2,1H3,(H,35,36)