(2R)-2-[2,6-bis(bromanyl)-4-[6-(phenylsulfinyl)naphtho[3,2-b][1]benzothiol-11-yl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[2,6-bis(bromanyl)-4-[6-(phenylsulfinyl)naphtho[3,2-b][1]benzothiol-11-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[4-[6-(benzenesulfinyl)naphtho[3,2-b]benzothiophen-11-yl]-2,6-dibromo-phenoxy]-3-phenyl-propanoic acid CAS Name: (2R)-2-[4-[6-(benzenesulfinyl)-11-naphtho[3,2-b][1]benzothiolyl]-2,6-dibromophenoxy]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[4-[6-(benzenesulfinyl)naphtho[3,2-b][1]benzothiol-11-yl]-2,6-dibromophenoxy]-3-phenylpropanoic acid Traditional Name: (2R)-2-[4-[6-(benzenesulfinyl)naphtho[3,2-b]benzothiophen-11-yl]-2,6-dibromo-phenoxy]-3-phenyl-propionic acid Formula: C37H24Br2O4S2 MolecularWeight: 756.52206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=C(C=C(C=C2Br)C3=C4C5=CC=CC=C5SC4=C(C6=CC=CC=C63)S(=O)C7=CC=CC=C7)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)OC2=C(C=C(C=C2Br)C3=C4C5=CC=CC=C5SC4=C(C6=CC=CC=C63)S(=O)C7=CC=CC=C7)Br

InChI

InChI=1S/C37H24Br2O4S2/c38-28-20-23(21-29(39)34(28)43-30(37(40)41)19-22-11-3-1-4-12-22)32-25-15-7-8-16-26(25)36(45(42)24-13-5-2-6-14-24)35-33(32)27-17-9-10-18-31(27)44-35/h1-18,20-21,30H,19H2,(H,40,41)/t30-,45?/m1/s1