[4-[6-methoxy-5-(3-methoxy-4-phenylmethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate

Systemtic Name: [4-[6-methoxy-5-(3-methoxy-4-phenylmethoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate Openeye Name: [4-[5-(4-benzyloxy-3-methoxy-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-methoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] ester IUPAC Name: [4-[6-methoxy-5-(3-methoxy-4-phenylmethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[5-(4-benzoxy-3-methoxy-phenyl)-6-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl]phenyl] ester Formula: C30H28O8S MolecularWeight: 548.60352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C=C(C3=C2OCCO3)C4=CC=C(C=C4)OS(=O)(=O)C)OC)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C=C(C3=C2OCCO3)C4=CC=C(C=C4)OS(=O)(=O)C)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C30H28O8S/c1-33-26-17-22(11-14-25(26)37-19-20-7-5-4-6-8-20)28-27(34-2)18-24(29-30(28)36-16-15-35-29)21-9-12-23(13-10-21)38-39(3,31)32/h4-14,17-18H,15-16,19H2,1-3H3