[2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenyl] hydrogen carbonate

Systemtic Name: [2-bromanyl-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenyl] hydrogen carbonate Openeye Name: [4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-bromo-4-[4-[2-(phenylmethyl)-1-benzothiophen-3-yl]phenyl]phenyl] ester IUPAC Name: [4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-bromophenyl] hydrogen carbonate Traditional Name: carbonic acid [4-[4-(2-benzylbenzothiophen-3-yl)phenyl]-2-bromo-phenyl] ester Formula: C28H19BrO3S MolecularWeight: 515.41766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)C4=CC=C(C=C4)C5=CC(=C(C=C5)OC(=O)O)Br

InChI

InChI=1S/C28H19BrO3S/c29-23-17-21(14-15-24(23)32-28(30)31)19-10-12-20(13-11-19)27-22-8-4-5-9-25(22)33-26(27)16-18-6-2-1-3-7-18/h1-15,17H,16H2,(H,30,31)