CAS RN: 26902-03-4
CAS Name: 3-(phenylmethylthio)-1-propanol
OPENEYE Name: 3-benzylsulfanylpropan-1-ol
IUPAC Name: 3-benzylsulfanylpropan-1-ol
SYSTEMATIC NAME: 3-(phenylmethylsulfanyl)propan-1-ol
MOLECULAR FORMULA: C10H14OS
MOLECULAR WEIGHT: 182.28256
SMILES: C1=CC=C(C=C1)CSCCCO
Structure:
CAS RN: 41887-79-0
CAS Name: 2,3-dihydro-1$l^{6}-benzothiepin 1,1-dioxide
OPENEYE Name: 2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
IUPAC Name: 2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
SYSTEMATIC NAME: 2,3-dihydro-1$l^{6}-benzothiepine 1,1-dioxide
MOLECULAR FORMULA: C10H10O2S
MOLECULAR WEIGHT: 194.2502
SMILES: C1CS(=O)(=O)C2=CC=CC=C2C=C1
Structure:
CAS RN: 6476-18-2
CAS Name: 4-phenylpyrrolidine-2,3,5-trione
OPENEYE Name: 4-phenylpyrrolidine-2,3,5-trione
IUPAC Name: 4-phenylpyrrolidine-2,3,5-trione
SYSTEMATIC NAME: 4-phenylpyrrolidine-2,3,5-trione
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC=C(C=C1)C2C(=O)C(=O)NC2=O
Structure:
CAS RN: 6712-27-2
CAS Name: 2-hexyl-1,3-oxathiolane
OPENEYE Name: 2-hexyl-1,3-oxathiolane
IUPAC Name: 2-hexyl-1,3-oxathiolane
SYSTEMATIC NAME: 2-hexyl-1,3-oxathiolane
MOLECULAR FORMULA: C9H18OS
MOLECULAR WEIGHT: 174.30362
SMILES: CCCCCCC1OCCS1
Structure:
CAS RN: 5962-03-8
CAS Name: 2-benzothiopyran-1-one
OPENEYE Name: isothiochromen-1-one
IUPAC Name: isothiochromen-1-one
SYSTEMATIC NAME: isothiochromen-1-one
MOLECULAR FORMULA: C9H6OS
MOLECULAR WEIGHT: 162.20834
SMILES: C1=CC=C2C(=C1)C=CSC2=O
Structure:
CAS RN: 79669-49-1
CAS Name: 5-bromo-2-methylbenzoic acid
OPENEYE Name: 5-bromo-2-methyl-benzoic acid
IUPAC Name: 5-bromo-2-methylbenzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-methyl-benzoic acid
MOLECULAR FORMULA: C8H7BrO2
MOLECULAR WEIGHT: 215.04398
SMILES: CC1=C(C=C(C=C1)Br)C(=O)O
Structure:
CAS RN: 7115-89-1
CAS Name: 2-(bromomethyl)benzoic acid
OPENEYE Name: 2-(bromomethyl)benzoic acid
IUPAC Name: 2-(bromomethyl)benzoic acid
SYSTEMATIC NAME: 2-(bromomethyl)benzoic acid
MOLECULAR FORMULA: C8H7BrO2
MOLECULAR WEIGHT: 215.04398
SMILES: C1=CC=C(C(=C1)CBr)C(=O)O
Structure:
CAS RN: 786593-22-4
CAS Name: 2-(bromomethyl)benzoic acid
OPENEYE Name: 2-(bromomethyl)benzoic acid
IUPAC Name: 2-(bromomethyl)benzoic acid
SYSTEMATIC NAME: 2-(bromomethyl)benzoic acid
MOLECULAR FORMULA: C8H7BrO2
MOLECULAR WEIGHT: 215.04398
SMILES: C1=CC=C(C(=C1)CBr)C(=O)O
Structure:
CAS RN: 41709-87-9
CAS Name: 4-hydroxyisoindole-1,3-dione
OPENEYE Name: 4-hydroxyisoindoline-1,3-dione
IUPAC Name: 4-hydroxyisoindole-1,3-dione
SYSTEMATIC NAME: 4-oxidanylisoindole-1,3-dione
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1=CC2=C(C(=C1)O)C(=O)NC2=O
Structure:
CAS RN: 7464-42-8
CAS Name: benzoic acid [4-(benzoyloxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl ester
OPENEYE Name: [4-(benzoyloxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl benzoate
IUPAC Name: [4-(benzoyloxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl benzoate
SYSTEMATIC NAME: [2,6-diphenyl-4-(phenylcarbonyloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl benzoate
MOLECULAR FORMULA: C34H30O8
MOLECULAR WEIGHT: 566.5972
SMILES: C1=CC=C(C=C1)C2OC(C3C(O2)C(OC(O3)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)COC(=O)C6=CC=CC=C6
Structure:
CAS RN: 7508-71-6
CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-6,6-bis(phenylmethylthio)hexyl] ester
OPENEYE Name: [2,3,4,5-tetraacetoxy-6,6-bis(benzylsulfanyl)hexyl] acetate
IUPAC Name: [2,3,4,5-tetraacetyloxy-6,6-bis(benzylsulfanyl)hexyl] acetate
SYSTEMATIC NAME: [2,3,4,5-tetraacetyloxy-6,6-bis(phenylmethylsulfanyl)hexyl] ethanoate
MOLECULAR FORMULA: C30H36O10S2
MOLECULAR WEIGHT: 620.73084
SMILES: CC(=O)OCC(C(C(C(C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 25018-27-3
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C28H38O19
MOLECULAR WEIGHT: 678.58992
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7464-40-6
CAS Name: 4-methylbenzenesulfonic acid [8-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methyl ester
OPENEYE Name: [8-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [8-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [8-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H28O8S
MOLECULAR WEIGHT: 512.57142
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OC(O3)C4=CC=CC=C4)CO)OC(O2)C5=CC=CC=C5
Structure:
CAS RN: 7468-57-7
CAS Name: 4-methylbenzenesulfonic acid [1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl] ester
OPENEYE Name: [1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodo-ethyl] 4-methylbenzenesulfonate
IUPAC Name: [1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodoethyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2-iodanyl-ethyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C27H27IO7S
MOLECULAR WEIGHT: 622.46855
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(CI)C2C3C(COC(O3)C4=CC=CC=C4)OC(O2)C5=CC=CC=C5
Structure:
CAS RN: 7464-39-3
CAS Name: benzoic acid [6-(2-benzoyloxy-1-hydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl ester
OPENEYE Name: [6-(2-benzoyloxy-1-hydroxy-ethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl benzoate
IUPAC Name: [6-(2-benzoyloxy-1-hydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl benzoate
SYSTEMATIC NAME: [5-oxidanyl-6-[1-oxidanyl-2-(phenylcarbonyloxy)ethyl]-2-phenyl-1,3-dioxan-4-yl]methyl benzoate
MOLECULAR FORMULA: C27H26O8
MOLECULAR WEIGHT: 478.49054
SMILES: C1=CC=C(C=C1)C2OC(C(C(O2)C(COC(=O)C3=CC=CC=C3)O)O)COC(=O)C4=CC=CC=C4
Structure:
CAS RN: 7464-38-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-(2-naphthalenylthio)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(2-naphthylsulfanyl)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-naphthalen-2-ylsulfanyloxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-naphthalen-2-ylsulfanyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C24H26O9S
MOLECULAR WEIGHT: 490.52284
SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=CC3=CC=CC=C3C=C2)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7465-84-1
CAS Name: 4-methylbenzenesulfonic acid [4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl ester
OPENEYE Name: [4-(p-tolylsulfonyloxymethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-[(4-methylphenyl)sulfonyloxymethyl]-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C22H26O10S2
MOLECULAR WEIGHT: 514.56584
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OCO3)COS(=O)(=O)C4=CC=C(C=C4)C)OCO2
Structure:
CAS RN: 7595-92-8
CAS Name: 4-methylbenzenesulfonic acid [4,7-bis(iodomethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] ester
OPENEYE Name: [4,7-bis(iodomethyl)-6-(p-tolylsulfonyloxy)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
IUPAC Name: [4,7-bis(iodomethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4,7-bis(iodanylmethyl)-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H24I2O8S2
MOLECULAR WEIGHT: 722.3494
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(OCOC(C2OS(=O)(=O)C3=CC=C(C=C3)C)CI)CI
Structure:
CAS RN: 7464-37-1
CAS Name: 4-methylbenzenesulfonic acid [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] ester
OPENEYE Name: [4,7-dimethyl-6-(p-tolylsulfonyloxy)-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
IUPAC Name: [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4,7-dimethyl-6-(4-methylphenyl)sulfonyloxy-1,3-dioxepan-5-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H26O8S2
MOLECULAR WEIGHT: 470.55634
SMILES: CC1C(C(C(OCO1)C)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 7464-36-0
CAS Name: [4-(hydroxymethyl)-2,6-diphenyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methanol
OPENEYE Name: [4-(hydroxymethyl)-2,6-diphenyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methanol
IUPAC Name: [4-(hydroxymethyl)-2,6-diphenyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methanol
SYSTEMATIC NAME: [4-(hydroxymethyl)-2,6-diphenyl-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]dioxepin-8-yl]methanol
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: C1=CC=C(C=C1)C2OC(C3C(C(O2)CO)OC(O3)C4=CC=CC=C4)CO
Structure:
CAS RN: 7464-35-9
CAS Name: 4-(iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin
OPENEYE Name: 4-(iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
IUPAC Name: 4-(iodomethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
SYSTEMATIC NAME: 4-(iodanylmethyl)-8-methyl-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
MOLECULAR FORMULA: C20H21IO4
MOLECULAR WEIGHT: 452.28281
SMILES: CC1C2C(C(OC(O2)C3=CC=CC=C3)CI)OC(O1)C4=CC=CC=C4
Structure:
CAS RN: 7464-33-7
CAS Name: acetic acid [3-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2,3-diacetyloxypropyl] ester
OPENEYE Name: [3-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2,3-diacetoxy-propyl] acetate
IUPAC Name: [3-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2,3-diacetyloxypropyl] acetate
SYSTEMATIC NAME: [3-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2,3-diacetyloxy-propyl] ethanoate
MOLECULAR FORMULA: C15H22O10
MOLECULAR WEIGHT: 362.32918
SMILES: CC(=O)OCC(C(C1C2C(COCO2)OCO1)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7465-83-0
CAS Name: 4-methylbenzenesulfonic acid (8-methyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-d][1,3]dioxepin-9-yl) ester
OPENEYE Name: (8-methyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-d][1,3]dioxepin-9-yl) 4-methylbenzenesulfonate
IUPAC Name: (8-methyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-d][1,3]dioxepin-9-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (8-methyl-4a,8,9,9a-tetrahydro-4H-[1,3]dioxino[5,4-d][1,3]dioxepin-9-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H20O7S
MOLECULAR WEIGHT: 344.3801
SMILES: CC1C(C2C(COCO2)OCO1)OS(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 7622-00-6
CAS Name: 4-methylbenzenesulfonic acid [4-(iodomethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl ester
OPENEYE Name: [4-(iodomethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [4-(iodomethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [4-(iodanylmethyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H19IO7S
MOLECULAR WEIGHT: 470.27663
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(OCO3)CI)OCO2
Structure:
CAS RN: 7464-32-6
CAS Name: benzoic acid [4-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] ester
OPENEYE Name: [4-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] benzoate
IUPAC Name: [4-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] benzoate
SYSTEMATIC NAME: [4-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] benzoate
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CC1C(OCO1)C2C(COCO2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 7464-31-5
CAS Name: acetic acid [2-acetyloxy-3-(acetyloxymethoxy)-3-(5-methyl-1,3-dioxolan-4-yl)propyl] ester
OPENEYE Name: [2-acetoxy-3-(acetoxymethoxy)-3-(5-methyl-1,3-dioxolan-4-yl)propyl] acetate
IUPAC Name: [2-acetyloxy-3-(acetyloxymethoxy)-3-(5-methyl-1,3-dioxolan-4-yl)propyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-3-(acetyloxymethoxy)-3-(5-methyl-1,3-dioxolan-4-yl)propyl] ethanoate
MOLECULAR FORMULA: C14H22O9
MOLECULAR WEIGHT: 334.31908
SMILES: CC1C(OCO1)C(C(COC(=O)C)OC(=O)C)OCOC(=O)C
Structure:
CAS RN: 7465-82-9
CAS Name: 4-methylbenzenesulfonic acid [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl ester
OPENEYE Name: [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
IUPAC Name: [6-(1,2-dihydroxyethyl)-5-hydroxy-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [6-[1,2-bis(oxidanyl)ethyl]-5-oxidanyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H20O8S
MOLECULAR WEIGHT: 348.3688
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(OCO2)C(CO)O)O
Structure:
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