CAS RN: 64727-64-6
CAS Name: (6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
OPENEYE Name: (6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
IUPAC Name: (6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
SYSTEMATIC NAME: (6E,8E,10E,12E,14E,16E,18E,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)/C)/C)C
Structure:
CAS RN: 59092-07-8
CAS Name: (6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
OPENEYE Name: (6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
IUPAC Name: (6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
SYSTEMATIC NAME: (6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 5687-78-5
CAS Name: (E)-3-cyclopropyl-2-propenoic acid
OPENEYE Name: (E)-3-cyclopropylprop-2-enoic acid
IUPAC Name: (E)-3-cyclopropylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-cyclopropylprop-2-enoic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: C1CC1/C=C/C(=O)O
Structure:
CAS RN: 53755-58-1
CAS Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)O)O)C
Structure:
CAS RN: 52992-82-2
CAS Name: (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetoxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylene-decalin-1-carboxylate
IUPAC Name: methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methylpent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
SYSTEMATIC NAME: methyl (1S,4aR,5S,8aR)-5-[(E)-5-acetyloxy-3-methyl-pent-3-enyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: C/C(=C\COC(=O)C)/CC[C@H]1C(=C)CC[C@H]2[C@]1(CCC[C@@H]2C(=O)OC)C
Structure:
CAS RN: 128350-04-9
CAS Name: (E)-2,6-bis(4-fluorophenyl)-4-methyl-5-phenyl-2-heptenedinitrile
OPENEYE Name: (E)-2,6-bis(4-fluorophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
IUPAC Name: (E)-2,6-bis(4-fluorophenyl)-4-methyl-5-phenylhept-2-enedinitrile
SYSTEMATIC NAME: (E)-2,6-bis(4-fluorophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
MOLECULAR FORMULA: C26H20F2N2
MOLECULAR WEIGHT: 398.447206
SMILES: CC(/C=C(/C#N)\C1=CC=C(C=C1)F)C(C2=CC=CC=C2)C(C#N)C3=CC=C(C=C3)F
Structure:
CAS RN: 128350-00-5
CAS Name: (E)-2,6-bis(3,4-dichlorophenyl)-4-methyl-5-phenyl-2-heptenedinitrile
OPENEYE Name: (E)-2,6-bis(3,4-dichlorophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
IUPAC Name: (E)-2,6-bis(3,4-dichlorophenyl)-4-methyl-5-phenylhept-2-enedinitrile
SYSTEMATIC NAME: (E)-2,6-bis(3,4-dichlorophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
MOLECULAR FORMULA: C26H18Cl4N2
MOLECULAR WEIGHT: 500.24652
SMILES: CC(/C=C(/C#N)\C1=CC(=C(C=C1)Cl)Cl)C(C2=CC=CC=C2)C(C#N)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 128349-98-4
CAS Name: (E)-2,6-bis(4-bromophenyl)-4-methyl-5-phenyl-2-heptenedinitrile
OPENEYE Name: (E)-2,6-bis(4-bromophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
IUPAC Name: (E)-2,6-bis(4-bromophenyl)-4-methyl-5-phenylhept-2-enedinitrile
SYSTEMATIC NAME: (E)-2,6-bis(4-bromophenyl)-4-methyl-5-phenyl-hept-2-enedinitrile
MOLECULAR FORMULA: C26H20Br2N2
MOLECULAR WEIGHT: 520.2584
SMILES: CC(/C=C(/C#N)\C1=CC=C(C=C1)Br)C(C2=CC=CC=C2)C(C#N)C3=CC=C(C=C3)Br
Structure:
CAS RN: 127128-50-1
CAS Name: 3-[(1Z,3Z,5Z,7Z)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
OPENEYE Name: 3-[(1Z,3Z,5Z,7Z)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
IUPAC Name: 3-[(1Z,3Z,5Z,7Z)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[(1Z,3Z,5Z,7Z)-deca-1,3,5,7-tetraenoxy]propane-1,2-diol
MOLECULAR FORMULA: C13H20O3
MOLECULAR WEIGHT: 224.2961
SMILES: CC/C=C\C=C/C=C\C=C/OCC(CO)O
Structure:
CAS RN: 127072-60-0
CAS Name: (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
IUPAC Name: (2Z,4Z,6Z,8Z)-10-hydroxydodeca-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-10-oxidanyldodeca-2,4,6,8-tetraenal
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CCC(/C=C\C=C/C=C\C=C/C=O)O
Structure:
CAS RN: 127072-58-6
CAS Name: 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
OPENEYE Name: 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
IUPAC Name: 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
SYSTEMATIC NAME: 3-[(1Z,3Z,5Z,7Z,9Z,11Z)-tetradeca-1,3,5,7,9,11-hexaenoxy]propane-1,2-diol
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CC/C=C\C=C/C=C\C=C/C=C\C=C/OCC(CO)O
Structure:
CAS RN: 125369-79-1
CAS Name: (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
OPENEYE Name: (2E,4E)-2-(2-chlorophenyl)-5-phenyl-penta-2,4-dienenitrile
IUPAC Name: (2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
SYSTEMATIC NAME: (2E,4E)-2-(2-chlorophenyl)-5-phenyl-penta-2,4-dienenitrile
MOLECULAR FORMULA: C17H12ClN
MOLECULAR WEIGHT: 265.73688
SMILES: C1=CC=C(C=C1)/C=C/C=C(/C#N)\C2=CC=CC=C2Cl
Structure:
CAS RN: 223537-30-2
CAS Name: (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester
OPENEYE Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SYSTEMATIC NAME: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-heptanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate
MOLECULAR FORMULA: C31H39FN4O7
MOLECULAR WEIGHT: 598.662363
SMILES: CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C
Structure:
CAS RN: 119999-05-2
CAS Name: 4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]benzoic acid
OPENEYE Name: 4-[(E)-1-methyl-2-(1,1,4,4-tetramethyltetralin-6-yl)vinyl]benzoic acid
IUPAC Name: 4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]benzoic acid
MOLECULAR FORMULA: C24H28O2
MOLECULAR WEIGHT: 348.47792
SMILES: C/C(=C\C1=CC2=C(C=C1)C(CCC2(C)C)(C)C)/C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 115473-68-2
CAS Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4,4-dimethylthiochroman-7-yl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C21H22O2S
MOLECULAR WEIGHT: 338.46318
SMILES: C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCS3)(C)C
Structure:
CAS RN: 214353-01-2
CAS Name: (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid butyl ester
OPENEYE Name: butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate
IUPAC Name: butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
SYSTEMATIC NAME: butyl (3R,5R)-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-1,3,5-tris(oxidanyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C21H28O9
MOLECULAR WEIGHT: 424.44162
SMILES: CCCCOC(=O)C1(C[C@H](C([C@@H](C1)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O)O
Structure:
CAS RN: 214353-00-1
CAS Name: (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-cyclohexanecarboxylic acid butyl ester
OPENEYE Name: butyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-cyclohexanecarboxylate
IUPAC Name: butyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate
SYSTEMATIC NAME: butyl (1S,3R,4R,5R)-3-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C21H28O9
MOLECULAR WEIGHT: 424.44162
SMILES: CCCCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O)O)O
Structure:
CAS RN: 208186-86-1
CAS Name: [(E)-[1-[(E)-4-(4-carbamoyl-1-pyridin-1-iumyl)but-2-enyl]-2-pyridinylidene]methyl]-oxoammonium dibromide
OPENEYE Name: [(E)-[1-[(E)-4-(4-carbamoylpyridin-1-ium-1-yl)but-2-enyl]-2-pyridylidene]methyl]-oxo-ammonium dibromide
IUPAC Name: [(E)-[1-[(E)-4-(4-carbamoylpyridin-1-ium-1-yl)but-2-enyl]pyridin-2-ylidene]methyl]-oxoazanium dibromide
SYSTEMATIC NAME: [(E)-[1-[(E)-4-(4-aminocarbonylpyridin-1-ium-1-yl)but-2-enyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium dibromide
MOLECULAR FORMULA: C16H18Br2N4O2
MOLECULAR WEIGHT: 458.14772
SMILES: C1=C/C(=C\[NH+]=O)/N(C=C1)C/C=C/C[N+]2=CC=C(C=C2)C(=O)N.[Br-].[Br-]
Structure:
CAS RN: 202748-83-2
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,27R,29R,31S,33S,35R,37S,38R)-N-[2-(dimethylamino)ethyl]-3-[[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)-1-oxoethyl]amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy
OPENEYE Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,27R,29R,31S,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-N-[2-(dimethylamino
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,27R,29R,31S,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,27R,29R,31S,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-[2-(dimethylamino)ethanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-N-[2-(dimethylamino)
MOLECULAR FORMULA: C79H119N5O31
MOLECULAR WEIGHT: 1634.80506
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H](C[C@H](C[C@H](CC(=O)C[C@H](CC(=O)O[C@@H]1[C@@H](C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)C)O)NC(=O)CN(C)C)O.C([C@@H]
Structure:
CAS RN: 201990-21-8
CAS Name: (3R,4E,14R,21Z,27Z,43Z)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
OPENEYE Name: (3R,4E,14R,21Z,27Z,43Z)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
IUPAC Name: (3R,4E,14R,21Z,27Z,43Z)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
SYSTEMATIC NAME: (3R,4E,14R,21Z,27Z,43Z)-hexatetraconta-4,21,27,43-tetraen-1,12,15,45-tetrayne-3,14-diol
MOLECULAR FORMULA: C46H70O2
MOLECULAR WEIGHT: 655.0468
SMILES: C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](C#CCCCCCC/C=C/[C@H](C#C)O)O
Structure:
CAS RN: 197771-00-9
CAS Name: 3-[dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]pentyl]ammonio]propyl-dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]pentyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]ammonio]propyl-dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]azaniumyl]propyl-dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]azaniumyl]propyl-dimethyl-[5-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]pentyl]azanium tetraiodide
MOLECULAR FORMULA: C53H66I4N6S2
MOLECULAR WEIGHT: 1358.87922
SMILES: CN1/C(=C\C2=CC=[N+](C3=CC=CC=C23)CCCCC[N+](CCC[N+](CCCCC[N+]4=CC=C(C5=CC=CC=C45)/C=C\6/SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
CAS RN: 197770-98-2
CAS Name: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]butyl]ammonio]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-quinolin-1-iumyl]butyl]ammonium tetraiodide
OPENEYE Name: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]ammonio]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]ammonium tetraiodide
IUPAC Name: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium tetraiodide
SYSTEMATIC NAME: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium tetraiodide
MOLECULAR FORMULA: C51H62I4N6S2
MOLECULAR WEIGHT: 1330.82606
SMILES: CN1/C(=C\C2=CC=[N+](C3=CC=CC=C23)CCCC[N+](CCC[N+](CCCC[N+]4=CC=C(C5=CC=CC=C45)/C=C\6/SC7=CC=CC=C7N6C)(C)C)(C)C)/SC8=CC=CC=C18.[I-].[I-].[I-].[I-]
Structure:
CAS RN: 196309-94-1
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C56H84O21S2
MOLECULAR WEIGHT: 1157.38356
SMILES: C[C@H]1CC[C@]2([C@@H](C[C@H]3[C@](O2)(CC[C@H]4[C@H](O3)C[C@H]5[C@H](O4)C[C@H]6[C@H](O5)C[C@H]7[C@H](O6)C[C@@H]([C@@](O7)(C)CCCOS(=O)(=O)O)OS(=O)(=O)O)C)O[C@@H]8[C@@H]1O[C@@H]9[C@@H](C8)O[C@H]1C[C@@H]2[C@H](CC(=C)[C@H](O2)[C@@](C)(/C=C/C(=C)CC=C)O)O[C@@]1(
Structure:
CAS RN: 190848-69-2
CAS Name: (E)-3-phenyl-2-propenoic acid [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] ester
OPENEYE Name: [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1R,2R)-2-hydroxy-2-[(2R,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1R,2R)-2-oxidanyl-2-[(2R,3S)-3-oxidanyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-1-phenyl-ethyl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C22H20O6
MOLECULAR WEIGHT: 380.3906
SMILES: C1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)[C@H]([C@H]3[C@H](C=CC(=O)O3)O)O
Structure:
CAS RN: 190774-62-0
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H30N2O7S2
MOLECULAR WEIGHT: 510.6235
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@@H]([C@H]3[C@](CC[C@@](S3)(CC(=O)N1)[C@](C)(C(=O)OC)O)(C)O)O
Structure:
CAS RN: 190774-61-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O8S2
MOLECULAR WEIGHT: 524.60702
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@H]3[C@@H](O3)[C@@]4(CC[C@@](S4(=O)=O)(CC(=O)N1)[C@](C)(C(=O)OC)O)C
Structure:
CAS RN: 190774-60-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32N2O6S2
MOLECULAR WEIGHT: 520.66138
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@H]3[C@@H](O3)[C@@]4(CC[C@@](S4)(CC(=O)N1)[C@](C)(C(=O)OC(C)C)O)C
Structure:
CAS RN: 190774-59-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O6S2
MOLECULAR WEIGHT: 492.60822
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@H]3[C@@H](O3)[C@@]4(CC[C@@](S4)(CC(=O)N1)[C@](C)(C(=O)OC)O)C
Structure:
CAS RN: 178943-66-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O6S2
MOLECULAR WEIGHT: 478.58164
SMILES: C[C@@H]1C2=NC(=CS2)/C=C\C=C\C(=O)[C@H]3[C@@H](O3)[C@@]4(CC[C@@](S4)(CC(=O)N1)[C@](C)(C(=O)O)O)C
Structure:
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