3-(2,3-dimethoxy-10-phenylmethoxy-benzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol

Systemtic Name: 3-(2,3-dimethoxy-10-phenylmethoxy-benzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol Openeye Name: 3-(10-benzyloxy-2,3-dimethoxy-benzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol CAS Name: 3-[(2,3-dimethoxy-10-phenylmethoxy-6-benzo[b][1]benzoxepinyl)thio]-1-propanethiol IUPAC Name: 3-(2,3-dimethoxy-10-phenylmethoxybenzo[b][1]benzoxepin-6-yl)sulfanylpropane-1-thiol Traditional Name: 3-[(10-benzoxy-2,3-dimethoxy-benzo[b][1]benzoxepin-6-yl)thio]propane-1-thiol Formula: C26H26O4S2 MolecularWeight: 466.61224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C3=C(O2)C(=CC=C3)OCC4=CC=CC=C4)SCCCS)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C3=C(O2)C(=CC=C3)OCC4=CC=CC=C4)SCCCS)OC

InChI

InChI=1S/C26H26O4S2/c1-27-23-14-19-15-25(32-13-7-12-31)20-10-6-11-21(29-17-18-8-4-3-5-9-18)26(20)30-22(19)16-24(23)28-2/h3-6,8-11,14-16,31H,7,12-13,17H2,1-2H3