3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol

Systemtic Name: 3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol Openeye Name: 3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol CAS Name: 3-[(6-ethyl-5-phenyl-2-benzo[b][1]benzothiepinyl)oxy]propane-1,2-diol IUPAC Name: 3-(6-ethyl-5-phenylbenzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol Traditional Name: 3-(6-ethyl-5-phenyl-benzo[b][1]benzothiepin-2-yl)oxypropane-1,2-diol Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2)OCC(CO)O)SC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C25H24O3S/c1-2-20-21-10-6-7-11-23(21)29-24-14-19(28-16-18(27)15-26)12-13-22(24)25(20)17-8-4-3-5-9-17/h3-14,18,26-27H,2,15-16H2,1H3