CAS RN: 59802-27-6
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
OPENEYE Name: furan-2,5-dione; isophthalic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 71965-97-4
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
OPENEYE Name: furan-2,5-dione; isophthalic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 72175-94-1
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
OPENEYE Name: furan-2,5-dione; isophthalic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 78207-04-2
CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
OPENEYE Name: furan-2,5-dione; isophthalic acid; propane-1,2-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O
Structure:
CAS RN: 26301-10-0
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 2-methyloxirane; oxirane
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C17H32O13
MOLECULAR WEIGHT: 444.42818
SMILES: CC1CO1.C1CO1.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Structure:
CAS RN: 52434-08-9
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 2-methyloxirane; oxirane
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C17H32O13
MOLECULAR WEIGHT: 444.42818
SMILES: CC1CO1.C1CO1.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Structure:
CAS RN: 928841-61-6
CAS Name: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
OPENEYE Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol; 2-methyloxirane; oxirane
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C17H32O13
MOLECULAR WEIGHT: 444.42818
SMILES: CC1CO1.C1CO1.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
Structure:
CAS RN: 111069-01-3
CAS Name: 2-propenenitrile; 2-propenoic acid butyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
IUPAC Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; prop-2-enenitrile
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CCCCOC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1
Structure:
CAS RN: 210297-24-8
CAS Name: 2-propenenitrile; 2-propenoic acid butyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
IUPAC Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; prop-2-enenitrile
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CCCCOC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1
Structure:
CAS RN: 26299-47-8
CAS Name: 2-propenenitrile; 2-propenoic acid butyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
IUPAC Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; prop-2-enenitrile
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CCCCOC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1
Structure:
CAS RN: 59218-11-0
CAS Name: 2-propenenitrile; 2-propenoic acid butyl ester; styrene
OPENEYE Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
IUPAC Name: butyl prop-2-enoate; prop-2-enenitrile; styrene
SYSTEMATIC NAME: butyl prop-2-enoate; ethenylbenzene; prop-2-enenitrile
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CCCCOC(=O)C=C.C=CC#N.C=CC1=CC=CC=C1
Structure:
CAS RN: 26284-14-0
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid butyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
IUPAC Name: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)O
Structure:
CAS RN: 50642-40-5
CAS Name: 2-methyl-2-propenoic acid; 2-methyl-2-propenoic acid butyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
IUPAC Name: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)O
Structure:
CAS RN: 31634-18-1
CAS Name: (1S,3R)-3-methoxycarbonyl-2,2,3-trimethyl-1-cyclopentanecarboxylic acid
OPENEYE Name: (1S,3R)-3-methoxycarbonyl-2,2,3-trimethyl-cyclopentanecarboxylic acid
IUPAC Name: (1S,3R)-3-methoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acid
SYSTEMATIC NAME: (1S,3R)-3-methoxycarbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)OC
Structure:
CAS RN: 26250-43-1
CAS Name: einsteinium-251
OPENEYE Name: einsteinium-251
IUPAC Name: einsteinium-251
SYSTEMATIC NAME: einsteinium-251
MOLECULAR FORMULA: Es
MOLECULAR WEIGHT: 251.079984
SMILES: [251Es]
Structure:
CAS RN: 31634-17-0
CAS Name: 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: methyl 2-methylprop-2-enoate; [(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl] 2-methylprop-2-enoate
IUPAC Name: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
Structure:
CAS RN: 211618-71-2
CAS Name: 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: methyl 2-methylprop-2-enoate; [(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl] 2-methylprop-2-enoate
IUPAC Name: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
Structure:
CAS RN: 221312-35-2
CAS Name: 2-methyl-2-propenoic acid methyl ester; 2-methyl-2-propenoic acid [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: methyl 2-methylprop-2-enoate; [(1R,2S,4R)-1,7,7-trimethylnorbornan-2-yl] 2-methylprop-2-enoate
IUPAC Name: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
SYSTEMATIC NAME: methyl 2-methylprop-2-enoate; [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
Structure:
CAS RN: 103170-38-3
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 113441-15-9
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 114602-60-7
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 114602-68-5
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 120919-56-4
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 120920-60-7
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 122177-67-7
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 123339-02-6
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 126040-30-0
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 126040-46-8
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
CAS RN: 126040-48-0
CAS Name: ethene; 1-octene
OPENEYE Name: ethylene; oct-1-ene
IUPAC Name: ethene; oct-1-ene
SYSTEMATIC NAME: ethene; oct-1-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCCCCCC=C.C=C
Structure:
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