2-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,3-dithian-2-yl]-6-phenylmethoxy-phenol

Systemtic Name: 2-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,3-dithian-2-yl]-6-phenylmethoxy-phenol Openeye Name: 2-benzyloxy-6-[2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-1,3-dithian-2-yl]phenol CAS Name: 2-[2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,3-dithian-2-yl]-6-phenylmethoxyphenol IUPAC Name: 2-[2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,3-dithian-2-yl]-6-phenylmethoxyphenol Traditional Name: 2-benzoxy-6-[2-(2-bromo-4,5-dimethoxy-benzyl)-1,3-dithian-2-yl]phenol Formula: C26H27BrO4S2 MolecularWeight: 547.52418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2(SCCCS2)C3=C(C(=CC=C3)OCC4=CC=CC=C4)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2(SCCCS2)C3=C(C(=CC=C3)OCC4=CC=CC=C4)O)Br)OC

InChI

InChI=1S/C26H27BrO4S2/c1-29-23-14-19(21(27)15-24(23)30-2)16-26(32-12-7-13-33-26)20-10-6-11-22(25(20)28)31-17-18-8-4-3-5-9-18/h3-6,8-11,14-15,28H,7,12-13,16-17H2,1-2H3