2-[2-[3,4-bis(fluoranyl)phenyl]-1-dicyclohexyloxyphosphoryl-ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-1-dicyclohexyloxyphosphoryl-ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[1-[bis(cyclohexoxy)phosphoryl]-2-(3,4-difluorophenyl)ethyl]-3-methyl-benzothiophene CAS Name: 2-[1-dicyclohexyloxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[1-dicyclohexyloxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[1-[bis(cyclohexoxy)phosphoryl]-2-(3,4-difluorophenyl)ethyl]-3-methyl-benzothiophene Formula: C29H35F2O3PS MolecularWeight: 532.621967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(CC3=CC(=C(C=C3)F)F)P(=O)(OC4CCCCC4)OC5CCCCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(CC3=CC(=C(C=C3)F)F)P(=O)(OC4CCCCC4)OC5CCCCC5

InChI

InChI=1S/C29H35F2O3PS/c1-20-24-14-8-9-15-28(24)36-29(20)27(19-21-16-17-25(30)26(31)18-21)35(32,33-22-10-4-2-5-11-22)34-23-12-6-3-7-13-23/h8-9,14-18,22-23,27H,2-7,10-13,19H2,1H3