CAS RN: 29767-20-2
CAS Name: (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5S,5aR,8aR,9R)-5-[[7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5S,5aR,8aR,9R)-5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5S,5aR,8aR,9R)-5-[[7,8-bis(oxidanyl)-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C32H32O13S
MOLECULAR WEIGHT: 656.65368
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O
Structure:
CAS RN: 10399-82-3
CAS Name: 2-(hydroxymethyl)-6-(4-methylanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-methylanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-methylanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CC1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 10571-77-4
CAS Name: 2-(hydroxymethyl)-6-(4-methylanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-methylanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-methylanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(4-methylphenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CC1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 31160-09-5
CAS Name: N-bis(cyclohexylamino)phosphorylcyclohexanamine
OPENEYE Name: N-bis(cyclohexylamino)phosphorylcyclohexanamine
IUPAC Name: N-bis(cyclohexylamino)phosphorylcyclohexanamine
SYSTEMATIC NAME: N-bis(cyclohexylamino)phosphorylcyclohexanamine
MOLECULAR FORMULA: C18H36N3OP
MOLECULAR WEIGHT: 341.471701
SMILES: C1CCC(CC1)NP(=O)(NC2CCCCC2)NC3CCCCC3
Structure:
CAS RN: 1808-64-6
CAS Name: N-bis(tert-butylamino)phosphoryl-2-methyl-2-propanamine
OPENEYE Name: N-bis(tert-butylamino)phosphoryl-2-methyl-propan-2-amine
IUPAC Name: N-bis(tert-butylamino)phosphoryl-2-methylpropan-2-amine
SYSTEMATIC NAME: N-bis(tert-butylamino)phosphoryl-2-methyl-propan-2-amine
MOLECULAR FORMULA: C12H30N3OP
MOLECULAR WEIGHT: 263.359861
SMILES: CC(C)(C)NP(=O)(NC(C)(C)C)NC(C)(C)C
Structure:
CAS RN: 22342-28-5
CAS Name: 1,3-bis(2,4,6-trimethylphenyl)-8aH-[1,2,4]triazolo[4,3-a]pyridine
OPENEYE Name: 1,3-bis(2,4,6-trimethylphenyl)-8aH-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-8aH-[1,2,4]triazolo[4,3-a]pyridine
SYSTEMATIC NAME: 1,3-bis(2,4,6-trimethylphenyl)-8aH-[1,2,4]triazolo[4,3-a]pyridine
MOLECULAR FORMULA: C24H27N3
MOLECULAR WEIGHT: 357.49128
SMILES: CC1=CC(=C(C(=C1)C)C2=NN(C3N2C=CC=C3)C4=C(C=C(C=C4C)C)C)C
Structure:
CAS RN: 15289-94-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H18
MOLECULAR WEIGHT: 282.37832
SMILES: CC12C3=CC=CC=C3C(C4=CC=CC=C41)(C5=CC=CC=C25)C
Structure:
CAS RN: 31562-40-0
CAS Name: 2-(tert-butylsulfinylthio)-2-methylpropane
OPENEYE Name: 2-tert-butylsulfinylsulfanyl-2-methyl-propane
IUPAC Name: 2-tert-butylsulfinylsulfanyl-2-methylpropane
SYSTEMATIC NAME: 2-tert-butylsulfinylsulfanyl-2-methyl-propane
MOLECULAR FORMULA: C8H18OS2
MOLECULAR WEIGHT: 194.35792
SMILES: CC(C)(C)SS(=O)C(C)(C)C
Structure:
CAS RN: 69777-52-2
CAS Name: 2-methylpropylcarbamic acid
OPENEYE Name: isobutylcarbamic acid
IUPAC Name: 2-methylpropylcarbamic acid
SYSTEMATIC NAME: 2-methylpropylcarbamic acid
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC(C)CNC(=O)O
Structure:
CAS RN: 70552-60-2
CAS Name: 2-methylpropylcarbamic acid
OPENEYE Name: isobutylcarbamic acid
IUPAC Name: 2-methylpropylcarbamic acid
SYSTEMATIC NAME: 2-methylpropylcarbamic acid
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC(C)CNC(=O)O
Structure:
CAS RN: 23942-33-8
CAS Name: 1-[bis(phenylthio)methyl]-4-nitrobenzene
OPENEYE Name: 1-[bis(phenylsulfanyl)methyl]-4-nitro-benzene
IUPAC Name: 1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene
SYSTEMATIC NAME: 1-[bis(phenylsulfanyl)methyl]-4-nitro-benzene
MOLECULAR FORMULA: C19H15NO2S2
MOLECULAR WEIGHT: 353.4579
SMILES: C1=CC=C(C=C1)SC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3
Structure:
CAS RN: 24032-35-7
CAS Name: 1-methyl-3-[(3-methylphenyl)sulfonylmethylsulfonyl]benzene
OPENEYE Name: 1-methyl-3-(m-tolylsulfonylmethylsulfonyl)benzene
IUPAC Name: 1-methyl-3-[(3-methylphenyl)sulfonylmethylsulfonyl]benzene
SYSTEMATIC NAME: 1-methyl-3-[(3-methylphenyl)sulfonylmethylsulfonyl]benzene
MOLECULAR FORMULA: C15H16O4S2
MOLECULAR WEIGHT: 324.41514
SMILES: CC1=CC(=CC=C1)S(=O)(=O)CS(=O)(=O)C2=CC=CC(=C2)C
Structure:
CAS RN: 1534-95-8
CAS Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
OPENEYE Name: 1-methyl-4-(p-tolylsulfonylmethylsulfonyl)benzene
IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
MOLECULAR FORMULA: C15H16O4S2
MOLECULAR WEIGHT: 324.41514
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 73318-12-4
CAS Name: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene
OPENEYE Name: 1-(benzylsulfinylmethyl)-4-nitro-benzene
IUPAC Name: 1-(benzylsulfinylmethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 73981-17-6
CAS Name: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene
OPENEYE Name: 1-(benzylsulfinylmethyl)-4-nitro-benzene
IUPAC Name: 1-(benzylsulfinylmethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-nitro-4-[(phenylmethyl)sulfinylmethyl]benzene
MOLECULAR FORMULA: C14H13NO3S
MOLECULAR WEIGHT: 275.32292
SMILES: C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 969-18-6
CAS Name: 2,4-dinitro-1-(phenylmethyl)sulfonylbenzene
OPENEYE Name: 1-benzylsulfonyl-2,4-dinitro-benzene
IUPAC Name: 1-benzylsulfonyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 2,4-dinitro-1-(phenylmethyl)sulfonyl-benzene
MOLECULAR FORMULA: C13H10N2O6S
MOLECULAR WEIGHT: 322.2933
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
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