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

Systemtic Name: 2-[2-bromanyl-5-(6-bromanylnaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]propanoic acid Openeye Name: 2-[2-bromo-5-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]propanoic acid CAS Name: 2-[2-bromo-5-(6-bromo-11-naphtho[3,2-b][1]benzothiolyl)phenoxy]propanoic acid IUPAC Name: 2-[2-bromo-5-(6-bromonaphtho[3,2-b][1]benzothiol-11-yl)phenoxy]propanoic acid Traditional Name: 2-[2-bromo-5-(6-bromonaphtho[3,2-b]benzothiophen-11-yl)phenoxy]propionic acid Formula: C25H16Br2O3S MolecularWeight: 556.26574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=CC(=C1)C2=C3C4=CC=CC=C4SC3=C(C5=CC=CC=C52)Br)Br

Isomeric SMILES

CC(C(=O)O)OC1=C(C=CC(=C1)C2=C3C4=CC=CC=C4SC3=C(C5=CC=CC=C52)Br)Br

InChI

InChI=1S/C25H16Br2O3S/c1-13(25(28)29)30-19-12-14(10-11-18(19)26)21-15-6-2-3-7-16(15)23(27)24-22(21)17-8-4-5-9-20(17)31-24/h2-13H,1H3,(H,28,29)