CAS RN: 1069-58-5
CAS Name: (Z)-2-butenedioic acid; N,N-diethylethanamine
OPENEYE Name: N,N-diethylethanamine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-diethylethanamine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-diethylethanamine
MOLECULAR FORMULA: C10H19NO4
MOLECULAR WEIGHT: 217.26216
SMILES: CCN(CC)CC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 121-42-6
CAS Name: (Z)-2-butenedioic acid; N,N-diethylethanamine
OPENEYE Name: N,N-diethylethanamine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-diethylethanamine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-diethylethanamine
MOLECULAR FORMULA: C10H19NO4
MOLECULAR WEIGHT: 217.26216
SMILES: CCN(CC)CC.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 739-13-9
CAS Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenal
IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2E,4E,6Z,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: C/C(=C\C=O)/C=C/C=C(/C)\C=C\C12C(CCCC1(O2)C)(C)C
Structure:
CAS RN: 41354-29-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28ClNO3
MOLECULAR WEIGHT: 377.90492
SMILES: CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1.O.O.O.Cl
Structure:
CAS RN: 66795-86-6
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2S,3R,4S,5S,6R)
MOLECULAR FORMULA: C110H172O48
MOLECULAR WEIGHT: 2262.51388
SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O
Structure:
CAS RN: 11072-93-8
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2
MOLECULAR FORMULA: C110H172O48
MOLECULAR WEIGHT: 2262.51388
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C
Structure:
CAS RN: 29316-47-0
CAS Name: formaldehyde; 2-methyloxirane; (1E,3E)-4,5,5-trimethyl-1-hexa-1,3-dienol
OPENEYE Name: formaldehyde; 2-methyloxirane; (1E,3E)-4,5,5-trimethylhexa-1,3-dien-1-ol
IUPAC Name: formaldehyde; 2-methyloxirane; (1E,3E)-4,5,5-trimethylhexa-1,3-dien-1-ol
SYSTEMATIC NAME: methanal; 2-methyloxirane; (1E,3E)-4,5,5-trimethylhexa-1,3-dien-1-ol
MOLECULAR FORMULA: C13H24O3
MOLECULAR WEIGHT: 228.32786
SMILES: CC1CO1.C/C(=C\C=C\O)/C(C)(C)C.C=O
Structure:
CAS RN: 28831-65-4
CAS Name: (2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid
OPENEYE Name: (2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-prop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carboxylic acid
IUPAC Name: (2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
SYSTEMATIC NAME: (2S,3S)-2-[3,4-bis(oxidanyl)phenyl]-4-[(E)-3-[(2R)-3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]oxy-3-oxidanylidene-prop-1-enyl]-7-oxidanyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
MOLECULAR FORMULA: C27H22O12
MOLECULAR WEIGHT: 538.45638
SMILES: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O)O)O
Structure:
CAS RN: 28476-83-7
CAS Name: (Z)-2-butenedioic acid dibutyl ester; chloroethene
OPENEYE Name: chloroethylene; dibutyl (Z)-but-2-enedioate
IUPAC Name: chloroethene; dibutyl (Z)-but-2-enedioate
SYSTEMATIC NAME: chloranylethene; dibutyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C14H23ClO4
MOLECULAR WEIGHT: 290.78302
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.C=CCl
Structure:
CAS RN: 51374-44-8
CAS Name: (Z)-2-butenedioic acid dibutyl ester; chloroethene
OPENEYE Name: chloroethylene; dibutyl (Z)-but-2-enedioate
IUPAC Name: chloroethene; dibutyl (Z)-but-2-enedioate
SYSTEMATIC NAME: chloranylethene; dibutyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C14H23ClO4
MOLECULAR WEIGHT: 290.78302
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.C=CCl
Structure:
CAS RN: 28379-63-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H23NO5
MOLECULAR WEIGHT: 333.37892
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(C)O)C
Structure:
CAS RN: 28172-18-1
CAS Name: oxo-[[1-[(E)-4-[4-(oxoammoniomethylidene)-1-pyridinyl]but-2-enyl]-4-pyridinylidene]methyl]ammonium dibromide
OPENEYE Name: oxo-[[1-[(E)-4-[4-(oxoammoniomethylene)-1-pyridyl]but-2-enyl]-4-pyridylidene]methyl]ammonium dibromide
IUPAC Name: oxo-[[1-[(E)-4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]but-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide
SYSTEMATIC NAME: oxidanylidene-[[1-[(E)-4-[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]but-2-enyl]pyridin-4-ylidene]methyl]azanium dibromide
MOLECULAR FORMULA: C16H18Br2N4O2
MOLECULAR WEIGHT: 458.14772
SMILES: C1=CN(C=CC1=C[NH+]=O)C/C=C/CN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]
Structure:
CAS RN: 28164-92-3
CAS Name: (E)-2-butenedioic acid; N,N-diethylethanamine
OPENEYE Name: N,N-diethylethanamine; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-diethylethanamine
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-diethylethanamine
MOLECULAR FORMULA: C16H34N2O4
MOLECULAR WEIGHT: 318.45216
SMILES: CCN(CC)CC.CCN(CC)CC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 28148-84-7
CAS Name: (3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
OPENEYE Name: (3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
IUPAC Name: (3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3aS,7R,9S,10Z,11aR)-10-methyl-3,6-dimethylidene-7,9-bis(oxidanyl)-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C/[C@@H]2[C@@H](CCC(=C)[C@@H](C[C@@H]1O)O)C(=C)C(=O)O2
Structure:
CAS RN: 28024-56-8
CAS Name: (E)-2-amino-4-hexenoic acid
OPENEYE Name: (E)-2-aminohex-4-enoic acid
IUPAC Name: (E)-2-aminohex-4-enoic acid
SYSTEMATIC NAME: (E)-2-azanylhex-4-enoic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C/C=C/CC(C(=O)O)N
Structure:
CAS RN: 27496-67-9
CAS Name: (E)-2-butenedioic acid; ethane-1,2-diol
OPENEYE Name: ethylene glycol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethane-1,2-diol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethane-1,2-diol
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C(CO)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 31370-69-1
CAS Name: (E)-2-butenedioic acid; ethane-1,2-diol
OPENEYE Name: ethylene glycol; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethane-1,2-diol
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethane-1,2-diol
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C(CO)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 27322-65-2
CAS Name: buta-1,3-diene; (Z)-4-methoxy-4-oxo-2-butenoic acid; styrene
OPENEYE Name: buta-1,3-diene; (Z)-4-methoxy-4-oxo-but-2-enoic acid; styrene
IUPAC Name: buta-1,3-diene; (Z)-4-methoxy-4-oxobut-2-enoic acid; styrene
SYSTEMATIC NAME: buta-1,3-diene; ethenylbenzene; (Z)-4-methoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H20O4
MOLECULAR WEIGHT: 288.3383
SMILES: COC(=O)/C=C\C(=O)O.C=CC=C.C=CC1=CC=CC=C1
Structure:
CAS RN: 27098-24-4
CAS Name: [(2R)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H84NO8P
MOLECULAR WEIGHT: 786.113421
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Structure:
CAS RN: 27059-74-1
CAS Name: (Z)-2-butenedioic acid; N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine
OPENEYE Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 5992-13-2
CAS Name: (Z)-2-butenedioic acid; N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine
OPENEYE Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 26932-58-1
CAS Name: (2E,4E)-5-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-methylpenta-2,4-dienal
OPENEYE Name: (2E,4E)-5-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-methyl-penta-2,4-dienal
IUPAC Name: (2E,4E)-5-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3-methylpenta-2,4-dienal
SYSTEMATIC NAME: (2E,4E)-3-methyl-5-(1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)penta-2,4-dienal
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C/C(=C\C=O)/C=C/C12C(CC(CC1(O2)C)O)(C)C
Structure:
CAS RN: 26931-94-2
CAS Name: (3aR,4S,6Z,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
OPENEYE Name: (3aR,4S,6Z,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
IUPAC Name: (3aR,4S,6Z,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3aR,4S,6Z,10E,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-4-oxidanyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: C/C/1=C/CC/C(=C\[C@@H]2[C@@H]([C@H](C1)O)C(=C)C(=O)O2)/CO
Structure:
CAS RN: 26877-81-6
CAS Name: (E)-2-butenedioic acid; ethene
OPENEYE Name: ethylene; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethene
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethene
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: C=C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 68002-51-7
CAS Name: (E)-2-butenedioic acid; ethene
OPENEYE Name: ethylene; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; ethene
SYSTEMATIC NAME: (E)-but-2-enedioic acid; ethene
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: C=C.C(=C/C(=O)O)\C(=O)O
Structure:
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