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

Systemtic Name: 4-(2,3-dimethyl-9-phenylsulfanyl-benzo[f][1]benzothiol-4-yl)phenol Openeye Name: 4-(2,3-dimethyl-9-phenylsulfanyl-benzo[f]benzothiophen-4-yl)phenol CAS Name: 4-[2,3-dimethyl-9-(phenylthio)-4-benzo[f][1]benzothiolyl]phenol IUPAC Name: 4-(2,3-dimethyl-9-phenylsulfanylbenzo[f][1]benzothiol-4-yl)phenol Traditional Name: 4-[2,3-dimethyl-9-(phenylthio)benzo[f]benzothiophen-4-yl]phenol Formula: C26H20OS2 MolecularWeight: 412.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC=C(C=C4)O)SC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C(C3=CC=CC=C3C(=C12)C4=CC=C(C=C4)O)SC5=CC=CC=C5)C

InChI

InChI=1S/C26H20OS2/c1-16-17(2)28-26-23(16)24(18-12-14-19(27)15-13-18)21-10-6-7-11-22(21)25(26)29-20-8-4-3-5-9-20/h3-15,27H,1-2H3