[2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]methyl 4-nitrobenzenesulfonate

Systemtic Name: [2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]methyl 4-nitrobenzenesulfonate Openeye Name: [2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]tetrahydrofuran-3-yl]methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-dioxo-1-pyrimidinyl]-3-oxolanyl]methyl ester IUPAC Name: [2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[3-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-3-yl]methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[3-(2,4-dimethoxybenzyl)-2,4-diketo-5-methyl-pyrimidin-1-yl]tetrahydrofuran-3-yl]methyl ester Formula: C47H47N3O13S MolecularWeight: 893.95338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CC2=C(C=C(C=C2)OC)OC)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)COS(=O)(=O)C7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CC2=C(C=C(C=C2)OC)OC)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)COS(=O)(=O)C7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C47H47N3O13S/c1-31-27-48(46(52)49(45(31)51)28-32-11-18-40(59-4)26-42(32)60-5)44-25-33(29-62-64(55,56)41-23-16-37(17-24-41)50(53)54)43(63-44)30-61-47(34-9-7-6-8-10-34,35-12-19-38(57-2)20-13-35)36-14-21-39(58-3)22-15-36/h6-24,26-27,33,43-44H,25,28-30H2,1-5H3