4-(6-ethyl-2-prop-2-enoxy-benzo[b][1]benzothiepin-5-yl)phenol

Systemtic Name: 4-(6-ethyl-2-prop-2-enoxy-benzo[b][1]benzothiepin-5-yl)phenol Openeye Name: 4-(2-allyloxy-6-ethyl-benzo[b][1]benzothiepin-5-yl)phenol CAS Name: 4-(6-ethyl-2-prop-2-enoxy-5-benzo[b][1]benzothiepinyl)phenol IUPAC Name: 4-(6-ethyl-2-prop-2-enoxybenzo[b][1]benzothiepin-5-yl)phenol Traditional Name: 4-(2-allyloxy-6-ethyl-benzo[b][1]benzothiepin-5-yl)phenol Formula: C25H22O2S MolecularWeight: 386.50598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O2S/c1-3-15-27-19-13-14-22-24(16-19)28-23-8-6-5-7-21(23)20(4-2)25(22)17-9-11-18(26)12-10-17/h3,5-14,16,26H,1,4,15H2,2H3