[5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxy-phenyl] methanesulfonate

Systemtic Name: [5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxy-phenyl] methanesulfonate Openeye Name: [2-benzyloxy-5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] ester IUPAC Name: [5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]-2-phenylmethoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-5-[2-butoxy-3,6-dimethoxy-4-(4-methoxyphenyl)phenyl]phenyl] ester Formula: C33H36O8S MolecularWeight: 592.69914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC=C(C=C4)OC)OC

Isomeric SMILES

CCCCOC1=C(C(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OS(=O)(=O)C)OC)C4=CC=C(C=C4)OC)OC

InChI

InChI=1S/C33H36O8S/c1-6-7-19-39-33-31(30(37-3)21-27(32(33)38-4)24-13-16-26(36-2)17-14-24)25-15-18-28(29(20-25)41-42(5,34)35)40-22-23-11-9-8-10-12-23/h8-18,20-21H,6-7,19,22H2,1-5H3