2-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-cyclopentyl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-cyclopentylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-cyclopentylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-cyclopentyl-phenoxy]-3-phenyl-propionic acid Formula: C34H31BrO3S MolecularWeight: 599.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)C6CCCC6)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)C6CCCC6)Br)C

InChI

InChI=1S/C34H31BrO3S/c1-20-21(2)39-33-30(20)31(25-14-8-9-15-26(25)32(33)35)24-16-17-28(27(19-24)23-12-6-7-13-23)38-29(34(36)37)18-22-10-4-3-5-11-22/h3-5,8-11,14-17,19,23,29H,6-7,12-13,18H2,1-2H3,(H,36,37)