CAS RN: 26553-46-8
CAS Name: (E)-3-hexenoic acid ethyl ester
OPENEYE Name: ethyl (E)-hex-3-enoate
IUPAC Name: ethyl (E)-hex-3-enoate
SYSTEMATIC NAME: ethyl (E)-hex-3-enoate
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC/C=C/CC(=O)OCC
Structure:
CAS RN: 21662-09-9
CAS Name: (Z)-4-decenal
OPENEYE Name: (Z)-dec-4-enal
IUPAC Name: (Z)-dec-4-enal
SYSTEMATIC NAME: (Z)-dec-4-enal
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCC/C=C\CCC=O
Structure:
CAS RN: 57266-86-1
CAS Name: (Z)-2-heptenal
OPENEYE Name: (Z)-hept-2-enal
IUPAC Name: (Z)-hept-2-enal
SYSTEMATIC NAME: (Z)-hept-2-enal
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: CCCC/C=C\C=O
Structure:
CAS RN: 50639-00-4
CAS Name: (E)-2-ethyl-2-hexen-1-ol
OPENEYE Name: (E)-2-ethylhex-2-en-1-ol
IUPAC Name: (E)-2-ethylhex-2-en-1-ol
SYSTEMATIC NAME: (E)-2-ethylhex-2-en-1-ol
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCC/C=C(\CC)/CO
Structure:
CAS RN: 94088-85-4
CAS Name: dicalcium (5R,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(oxido)methylidene]-7-(dimethylamino)-10a-hydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate
OPENEYE Name: dicalcium (5R,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(oxido)methylene]-7-(dimethylamino)-10a-hydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate
IUPAC Name: dicalcium (5R,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(oxido)methylidene]-7-(dimethylamino)-10a-hydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate
SYSTEMATIC NAME: dicalcium (5R,5aR,6S,6aR,7S,9Z,10aS)-9-[azanyl(oxidanidyl)methylidene]-7-(dimethylamino)-5-methyl-10a-oxidanyl-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate
MOLECULAR FORMULA: C22H20Ca2N2O8
MOLECULAR WEIGHT: 520.5588
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/[O-])/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)N(C)C)[O-].[Ca+2].[Ca+2]
Structure:
CAS RN: 163271-16-7
CAS Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
OPENEYE Name: 3-(2-isopropyl-5-methyl-cyclohexoxy)propane-1,2-diol
IUPAC Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(5-methyl-2-propan-2-yl-cyclohexyl)oxypropane-1,2-diol
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CC1CCC(C(C1)OCC(CO)O)C(C)C
Structure:
CAS RN: 708231-62-3
CAS Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
OPENEYE Name: 3-(2-isopropyl-5-methyl-cyclohexoxy)propane-1,2-diol
IUPAC Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(5-methyl-2-propan-2-yl-cyclohexyl)oxypropane-1,2-diol
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CC1CCC(C(C1)OCC(CO)O)C(C)C
Structure:
CAS RN: 87061-04-9
CAS Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
OPENEYE Name: 3-(2-isopropyl-5-methyl-cyclohexoxy)propane-1,2-diol
IUPAC Name: 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
SYSTEMATIC NAME: 3-(5-methyl-2-propan-2-yl-cyclohexyl)oxypropane-1,2-diol
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CC1CCC(C(C1)OCC(CO)O)C(C)C
Structure:
CAS RN: 85392-04-7
CAS Name: (E)-6-decenoic acid
OPENEYE Name: (E)-dec-6-enoic acid
IUPAC Name: (E)-dec-6-enoic acid
SYSTEMATIC NAME: (E)-dec-6-enoic acid
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCC/C=C/CCCCC(=O)O
Structure:
CAS RN: 85392-03-6
CAS Name: (E)-5-decenoic acid
OPENEYE Name: (E)-dec-5-enoic acid
IUPAC Name: (E)-dec-5-enoic acid
SYSTEMATIC NAME: (E)-dec-5-enoic acid
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCC/C=C/CCCC(=O)O
Structure:
CAS RN: 84788-08-9
CAS Name: (2E,4E)-deca-2,4-dienoic acid propyl ester
OPENEYE Name: propyl (2E,4E)-deca-2,4-dienoate
IUPAC Name: propyl (2E,4E)-deca-2,4-dienoate
SYSTEMATIC NAME: propyl (2E,4E)-deca-2,4-dienoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCCCC/C=C/C=C/C(=O)OCCC
Structure:
CAS RN: 84642-60-4
CAS Name: butanoic acid [(E)-oct-2-enyl] ester
OPENEYE Name: [(E)-oct-2-enyl] butanoate
IUPAC Name: [(E)-oct-2-enyl] butanoate
SYSTEMATIC NAME: [(E)-oct-2-enyl] butanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCC/C=C/COC(=O)CCC
Structure:
CAS RN: 81925-81-7
CAS Name: (E)-5-methyl-2-hepten-4-one
OPENEYE Name: (E)-5-methylhept-2-en-4-one
IUPAC Name: (E)-5-methylhept-2-en-4-one
SYSTEMATIC NAME: (E)-5-methylhept-2-en-4-one
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCC(C)C(=O)/C=C/C
Structure:
CAS RN: 81228-87-7
CAS Name: carbonochloridic acid cyclobutyl ester
OPENEYE Name: cyclobutyl carbonochloridate
IUPAC Name: cyclobutyl carbonochloridate
SYSTEMATIC NAME: cyclobutyl carbonochloridate
MOLECULAR FORMULA: C5H7ClO2
MOLECULAR WEIGHT: 134.56088
SMILES: C1CC(C1)OC(=O)Cl
Structure:
CAS RN: 80762-96-5
CAS Name: 2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]propoxy]propane
OPENEYE Name: 2-(2-tert-butoxypropoxy)-2-methyl-propane
IUPAC Name: 2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]propoxy]propane
SYSTEMATIC NAME: 2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]propoxy]propane
MOLECULAR FORMULA: C11H24O2
MOLECULAR WEIGHT: 188.30706
SMILES: CC(COC(C)(C)C)OC(C)(C)C
Structure:
CAS RN: 77538-19-3
CAS Name: docosanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl docosanoate
IUPAC Name: 2,3-dihydroxypropyl docosanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl docosanoate
MOLECULAR FORMULA: C25H50O4
MOLECULAR WEIGHT: 414.6621
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Structure:
CAS RN: 76788-46-0
CAS Name: 2-ethyl-4,5-dimethyl-2,5-dihydrothiazole
OPENEYE Name: 2-ethyl-4,5-dimethyl-2,5-dihydrothiazole
IUPAC Name: 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C7H13NS
MOLECULAR WEIGHT: 143.24982
SMILES: CCC1N=C(C(S1)C)C
Structure:
CAS RN: 76649-16-6
CAS Name: (E)-4-decenoic acid ethyl ester
OPENEYE Name: ethyl (E)-dec-4-enoate
IUPAC Name: ethyl (E)-dec-4-enoate
SYSTEMATIC NAME: ethyl (E)-dec-4-enoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCCCC/C=C/CCC(=O)OCC
Structure:
CAS RN: 75150-13-9
CAS Name: 2-[(2,4-dibromo-6-methylphenoxy)methyl]oxirane
OPENEYE Name: 2-[(2,4-dibromo-6-methyl-phenoxy)methyl]oxirane
IUPAC Name: 2-[(2,4-dibromo-6-methylphenoxy)methyl]oxirane
SYSTEMATIC NAME: 2-[[2,4-bis(bromanyl)-6-methyl-phenoxy]methyl]oxirane
MOLECULAR FORMULA: C10H10Br2O2
MOLECULAR WEIGHT: 321.9932
SMILES: CC1=CC(=CC(=C1OCC2CO2)Br)Br
Structure:
CAS RN: 74367-97-8
CAS Name: 3-methyl-3-(4-methylphenyl)-2-oxiranecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-3-(p-tolyl)oxirane-2-carboxylate
IUPAC Name: ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CCOC(=O)C1C(O1)(C)C2=CC=C(C=C2)C
Structure:
CAS RN: 49576-57-0
CAS Name: (E)-2-methyl-2-octenal
OPENEYE Name: (E)-2-methyloct-2-enal
IUPAC Name: (E)-2-methyloct-2-enal
SYSTEMATIC NAME: (E)-2-methyloct-2-enal
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CCCCC/C=C(\C)/C=O
Structure:
CAS RN: 73757-27-4
CAS Name: (E)-2-methyl-2-octenal
OPENEYE Name: (E)-2-methyloct-2-enal
IUPAC Name: (E)-2-methyloct-2-enal
SYSTEMATIC NAME: (E)-2-methyloct-2-enal
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CCCCC/C=C(\C)/C=O
Structure:
CAS RN: 73019-14-4
CAS Name: 2-ethylbutanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
OPENEYE Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
SYSTEMATIC NAME: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CCC(CC)C(=O)OC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 85136-39-6
CAS Name: 2-ethylbutanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
OPENEYE Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
SYSTEMATIC NAME: [(2E)-3,7-dimethylocta-2,6-dienyl] 2-ethylbutanoate
MOLECULAR FORMULA: C16H28O2
MOLECULAR WEIGHT: 252.39232
SMILES: CCC(CC)C(=O)OC/C=C(\C)/CCC=C(C)C
Structure:
CAS RN: 71808-64-5
CAS Name: 3-chloropropyl-dimethoxy-[3-(2-oxiranylmethoxy)propyl]silane
OPENEYE Name: 3-chloropropyl-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
IUPAC Name: 3-chloropropyl-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SYSTEMATIC NAME: 3-chloranylpropyl-dimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
MOLECULAR FORMULA: C11H23ClO4Si
MOLECULAR WEIGHT: 282.83642
SMILES: CO[Si](CCCOCC1CO1)(CCCCl)OC
Structure:
CAS RN: 71033-08-4
CAS Name: 2-[[1-butoxy-3-[4-[2-[4-[3-butoxy-2-(2-oxiranylmethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl]oxymethyl]oxirane
OPENEYE Name: 2-[[1-(butoxymethyl)-2-[4-[1-[4-[3-butoxy-2-(oxiran-2-ylmethoxy)propoxy]phenyl]-1-methyl-ethyl]phenoxy]ethoxy]methyl]oxirane
IUPAC Name: 2-[[1-butoxy-3-[4-[2-[4-[3-butoxy-2-(oxiran-2-ylmethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl]oxymethyl]oxirane
SYSTEMATIC NAME: 2-[[1-butoxy-3-[4-[2-[4-[3-butoxy-2-(oxiran-2-ylmethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yl]oxymethyl]oxirane
MOLECULAR FORMULA: C35H52O8
MOLECULAR WEIGHT: 600.78258
SMILES: CCCCOCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COCCCC)OCC3CO3)OCC4CO4
Structure:
CAS RN: 68959-23-9
CAS Name: 2-[1,6-bis(2-oxiranylmethoxy)hexan-2-yloxymethyl]oxirane
OPENEYE Name: 2-[2,6-bis(oxiran-2-ylmethoxy)hexoxymethyl]oxirane
IUPAC Name: 2-[1,6-bis(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
SYSTEMATIC NAME: 2-[1,6-bis(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
MOLECULAR FORMULA: C15H26O6
MOLECULAR WEIGHT: 302.36334
SMILES: C1C(O1)COCCCCC(COCC2CO2)OCC3CO3
Structure:
CAS RN: 67860-38-2
CAS Name: 1-(2-methyl-4-pyrimidinyl)ethanone
OPENEYE Name: 1-(2-methylpyrimidin-4-yl)ethanone
IUPAC Name: 1-(2-methylpyrimidin-4-yl)ethanone
SYSTEMATIC NAME: 1-(2-methylpyrimidin-4-yl)ethanone
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: CC1=NC=CC(=N1)C(=O)C
Structure:
CAS RN: 67801-46-1
CAS Name: 1-hydroxy-3-nonanone
OPENEYE Name: 1-hydroxynonan-3-one
IUPAC Name: 1-hydroxynonan-3-one
SYSTEMATIC NAME: 1-oxidanylnonan-3-one
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: CCCCCCC(=O)CCO
Structure:
CAS RN: 67715-82-6
CAS Name: 1,2,3-tris(1-ethoxyethoxy)propane
OPENEYE Name: 1,2,3-tris(1-ethoxyethoxy)propane
IUPAC Name: 1,2,3-tris(1-ethoxyethoxy)propane
SYSTEMATIC NAME: 1,2,3-tris(1-ethoxyethoxy)propane
MOLECULAR FORMULA: C15H32O6
MOLECULAR WEIGHT: 308.41098
SMILES: CCOC(C)OCC(COC(C)OCC)OC(C)OCC
Structure:
CAS RN: 67715-79-1
CAS Name: 1,2-bis(1-ethoxyethoxy)propane
OPENEYE Name: 1,2-bis(1-ethoxyethoxy)propane
IUPAC Name: 1,2-bis(1-ethoxyethoxy)propane
SYSTEMATIC NAME: 1,2-bis(1-ethoxyethoxy)propane
MOLECULAR FORMULA: C11H24O4
MOLECULAR WEIGHT: 220.30586
SMILES: CCOC(C)OCC(C)OC(C)OCC
Structure:
CAS RN: 66634-97-7
CAS Name: (E)-2,4-dimethyl-2-pentenoic acid
OPENEYE Name: (E)-2,4-dimethylpent-2-enoic acid
IUPAC Name: (E)-2,4-dimethylpent-2-enoic acid
SYSTEMATIC NAME: (E)-2,4-dimethylpent-2-enoic acid
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(C)/C=C(\C)/C(=O)O
Structure:
CAS RN: 65505-18-2
CAS Name: 5-ethenyl-2,4-dimethylthiazole
OPENEYE Name: 2,4-dimethyl-5-vinyl-thiazole
IUPAC Name: 5-ethenyl-2,4-dimethyl-1,3-thiazole
SYSTEMATIC NAME: 5-ethenyl-2,4-dimethyl-1,3-thiazole
MOLECULAR FORMULA: C7H9NS
MOLECULAR WEIGHT: 139.21806
SMILES: CC1=C(SC(=N1)C)C=C
Structure:
CAS RN: 65405-68-7
CAS Name: 3-(hydroxymethyl)-2-heptanone
OPENEYE Name: 3-(hydroxymethyl)heptan-2-one
IUPAC Name: 3-(hydroxymethyl)heptan-2-one
SYSTEMATIC NAME: 3-(hydroxymethyl)heptan-2-one
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCCCC(CO)C(=O)C
Structure:
CAS RN: 64973-06-4
CAS Name: arsenic bromide
OPENEYE Name: arsenic bromide
IUPAC Name: arsenic bromide
SYSTEMATIC NAME: arsenic bromide
MOLECULAR FORMULA: AsBr-
MOLECULAR WEIGHT: 154.8256
SMILES: [As].[Br-]
Structure:
CAS RN: 60893-97-2
CAS Name: 2-(ethylamino)-2-thiophen-2-yl-1-cyclohexanone; (4Z)-1,3,8-trimethyl-4-(6-oxo-1-cyclohexa-2,4-dienylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one
OPENEYE Name: 2-(ethylamino)-2-(2-thienyl)cyclohexanone; (4Z)-1,3,8-trimethyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one
IUPAC Name: 2-(ethylamino)-2-thiophen-2-ylcyclohexan-1-one; (4Z)-1,3,8-trimethyl-4-(6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one
SYSTEMATIC NAME: 2-(ethylamino)-2-thiophen-2-yl-cyclohexan-1-one; (4Z)-1,3,8-trimethyl-4-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-5,6-dihydropyrazolo[3,4-e][1,4]diazepin-7-one
MOLECULAR FORMULA: C27H33N5O3S
MOLECULAR WEIGHT: 507.64762
SMILES: CCNC1(CCCCC1=O)C2=CC=CS2.CC1=NN(C2=C1/C(=C/3\C=CC=CC3=O)/NCC(=O)N2C)C
Structure:
CAS RN: 52652-59-2
CAS Name: lead; octadecanoate
OPENEYE Name: lead; octadecanoate
IUPAC Name: lead; octadecanoate
SYSTEMATIC NAME: lead; octadecanoate
MOLECULAR FORMULA: C18H35O2Pb-
MOLECULAR WEIGHT: 490.6693
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb]
Structure:
CAS RN: 56189-09-4
CAS Name: lead; octadecanoate
OPENEYE Name: lead; octadecanoate
IUPAC Name: lead; octadecanoate
SYSTEMATIC NAME: lead; octadecanoate
MOLECULAR FORMULA: C18H35O2Pb-
MOLECULAR WEIGHT: 490.6693
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb]
Structure:
CAS RN: 7717-46-6
CAS Name: lead; octadecanoate
OPENEYE Name: lead; octadecanoate
IUPAC Name: lead; octadecanoate
SYSTEMATIC NAME: lead; octadecanoate
MOLECULAR FORMULA: C18H35O2Pb-
MOLECULAR WEIGHT: 490.6693
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb]
Structure:
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