bromanylmethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol

Systemtic Name: bromanylmethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol Openeye Name: bromomethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol CAS Name: bromomethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol IUPAC Name: bromomethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol Traditional Name: bromomethane; 2-phenyl-2-[(8-propyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]ethanol Formula: C26H29BrO2S MolecularWeight: 485.47626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(C3=CC=CC=C3SC2)OC(CO)C4=CC=CC=C4.CBr

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(C3=CC=CC=C3SC2)OC(CO)C4=CC=CC=C4.CBr

InChI

InChI=1S/C25H26O2S.CH3Br/c1-2-8-18-13-14-21-20(15-18)17-28-24-12-7-6-11-22(24)25(21)27-23(16-26)19-9-4-3-5-10-19;1-2/h3-7,9-15,23,25-26H,2,8,16-17H2,1H3;1H3