3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol

Systemtic Name: 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol Openeye Name: 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol CAS Name: 3-[[6-ethyl-5-(4-hydroxyphenyl)-2-benzo[b][1]benzothiepinyl]oxy]propane-1,2-diol IUPAC Name: 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol Traditional Name: 3-[6-ethyl-5-(4-hydroxyphenyl)benzo[b][1]benzothiepin-2-yl]oxypropane-1,2-diol Formula: C25H24O4S MolecularWeight: 420.52066

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H24O4S/c1-2-20-21-5-3-4-6-23(21)30-24-13-19(29-15-18(28)14-26)11-12-22(24)25(20)16-7-9-17(27)10-8-16/h3-13,18,26-28H,2,14-15H2,1H3