[3-[[1-methoxy-9-oxidanylidene-3,5-bis(phenylmethoxy)xanthen-4-yl]methyl]-2-methyl-oxiran-2-yl]methyl methanesulfonate

Systemtic Name: [3-[[1-methoxy-9-oxidanylidene-3,5-bis(phenylmethoxy)xanthen-4-yl]methyl]-2-methyl-oxiran-2-yl]methyl methanesulfonate Openeye Name: [3-[(3,5-dibenzyloxy-1-methoxy-9-oxo-xanthen-4-yl)methyl]-2-methyl-oxiran-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[[1-methoxy-9-oxo-3,5-bis(phenylmethoxy)-4-xanthenyl]methyl]-2-methyl-2-oxiranyl]methyl ester IUPAC Name: [3-[[1-methoxy-9-oxo-3,5-bis(phenylmethoxy)xanthen-4-yl]methyl]-2-methyloxiran-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[(3,5-dibenzoxy-9-keto-1-methoxy-xanthen-4-yl)methyl]-2-methyl-oxiran-2-yl]methyl ester Formula: C34H32O9S MolecularWeight: 616.67748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)CC2=C(C=C(C3=C2OC4=C(C3=O)C=CC=C4OCC5=CC=CC=C5)OC)OCC6=CC=CC=C6)COS(=O)(=O)C

Isomeric SMILES

CC1(C(O1)CC2=C(C=C(C3=C2OC4=C(C3=O)C=CC=C4OCC5=CC=CC=C5)OC)OCC6=CC=CC=C6)COS(=O)(=O)C

InChI

InChI=1S/C34H32O9S/c1-34(21-41-44(3,36)37)29(43-34)17-25-27(40-20-23-13-8-5-9-14-23)18-28(38-2)30-31(35)24-15-10-16-26(32(24)42-33(25)30)39-19-22-11-6-4-7-12-22/h4-16,18,29H,17,19-21H2,1-3H3