2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-cyclopentyl-phenol

Systemtic Name: 2-bromanyl-4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-6-cyclopentyl-phenol Openeye Name: 2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-cyclopentyl-phenol CAS Name: 2-bromo-4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-6-cyclopentylphenol IUPAC Name: 2-bromo-4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-6-cyclopentylphenol Traditional Name: 2-bromo-4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-6-cyclopentyl-phenol Formula: C25H22Br2OS MolecularWeight: 530.31458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C(=C4)Br)O)C5CCCC5)Br)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC(=C(C(=C4)Br)O)C5CCCC5)Br)C

InChI

InChI=1S/C25H22Br2OS/c1-13-14(2)29-25-21(13)22(17-9-5-6-10-18(17)23(25)27)16-11-19(15-7-3-4-8-15)24(28)20(26)12-16/h5-6,9-12,15,28H,3-4,7-8H2,1-2H3