CAS RN: 50378-83-1
CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzoselenazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzoselenazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzoselenazole iodide
MOLECULAR FORMULA: C23H25IN2O2Se
MOLECULAR WEIGHT: 567.32127
SMILES: CCN\1C2=C(C=CC(=C2)OC)[Se]/C1=C\C3=[N+](C4=C(C=C3)C=C(C=C4)OC)CC.[I-]
Structure:
CAS RN: 45320-65-8
CAS Name: (Z)-N-[3-[methyl-[3-[[(Z)-1-oxooctadec-9-enyl]amino]propyl]amino]propyl]-9-octadecenamide
OPENEYE Name: (Z)-N-[3-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]propyl]octadec-9-enamide
IUPAC Name: (Z)-N-[3-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]propyl]octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[3-[methyl-[3-[[(Z)-octadec-9-enoyl]amino]propyl]amino]propyl]octadec-9-enamide
MOLECULAR FORMULA: C43H83N3O2
MOLECULAR WEIGHT: 674.13802
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(CCCNC(=O)CCCCCCC/C=C\CCCCCCCC)C
Structure:
CAS RN: 45298-00-8
CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl (9Z,12Z)-octadeca-9,12-dienoate
IUPAC Name: 2-ethylhexyl (9Z,12Z)-octadeca-9,12-dienoate
SYSTEMATIC NAME: 2-ethylhexyl (9Z,12Z)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C26H48O2
MOLECULAR WEIGHT: 392.65812
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CC)CCCC
Structure:
CAS RN: 118765-10-9
CAS Name: (Z)-9-octadecenoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
IUPAC Name: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C24H47NO2
MOLECULAR WEIGHT: 381.63548
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CC)CC
Structure:
CAS RN: 45296-12-6
CAS Name: (Z)-9-octadecenoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
IUPAC Name: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C24H47NO2
MOLECULAR WEIGHT: 381.63548
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CC)CC
Structure:
CAS RN: 42986-15-2
CAS Name: 5-[4-(methylamino)phenyl]azo-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[4-(methylamino)phenyl]azo-2-[(E)-2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid
IUPAC Name: 5-[[4-(methylamino)phenyl]diazenyl]-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[[4-(methylamino)phenyl]diazenyl]-2-[(E)-2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C21H18N4O8S2
MOLECULAR WEIGHT: 518.51962
SMILES: CNC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 42933-32-4
CAS Name: (2E)-3,6,7-trimethyl-1-octa-2,6-dienol
OPENEYE Name: (2E)-3,6,7-trimethylocta-2,6-dien-1-ol
IUPAC Name: (2E)-3,6,7-trimethylocta-2,6-dien-1-ol
SYSTEMATIC NAME: (2E)-3,6,7-trimethylocta-2,6-dien-1-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CC(=C(C)CC/C(=C/CO)/C)C
Structure:
CAS RN: 42920-58-1
CAS Name: (1Z,5Z)-cycloocta-1,5-diene; 2-prop-2-enylphenolate; rhodium
OPENEYE Name: 2-allylphenolate; (1Z,5Z)-cycloocta-1,5-diene; rhodium
IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene; 2-prop-2-enylphenolate; rhodium
SYSTEMATIC NAME: (1Z,5Z)-cycloocta-1,5-diene; 2-prop-2-enylphenolate; rhodium
MOLECULAR FORMULA: C34H42O2Rh2-2
MOLECULAR WEIGHT: 688.50708
SMILES: C=CCC1=CC=CC=C1[O-].C=CCC1=CC=CC=C1[O-].C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Rh].[Rh]
Structure:
CAS RN: 42880-17-1
CAS Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate
OPENEYE Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide; 4-methylbenzenesulfonate
IUPAC Name: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N-[(E)-2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C26H26N2O5S
MOLECULAR WEIGHT: 478.56004
SMILES: CC[N+]1=C(OC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 42528-18-7
CAS Name: 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid nonyl ester chloride
OPENEYE Name: nonyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
IUPAC Name: nonyl 2-[1-[(E)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride
SYSTEMATIC NAME: nonyl 2-[1-[(E)-3-methyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride
MOLECULAR FORMULA: C27H44ClNO2
MOLECULAR WEIGHT: 450.09676
SMILES: CCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/CC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 42521-44-8
CAS Name: (E)-1-tetradec-12-en-9-ynol
OPENEYE Name: (E)-tetradec-12-en-9-yn-1-ol
IUPAC Name: (E)-tetradec-12-en-9-yn-1-ol
SYSTEMATIC NAME: (E)-tetradec-12-en-9-yn-1-ol
MOLECULAR FORMULA: C14H24O
MOLECULAR WEIGHT: 208.33976
SMILES: C/C=C/CC#CCCCCCCCCO
Structure:
CAS RN: 42272-70-8
CAS Name: (4Z)-4-pentadecylidene-3-tetradecyl-2-oxetanone
OPENEYE Name: (4Z)-4-pentadecylidene-3-tetradecyl-oxetan-2-one
IUPAC Name: (4Z)-4-pentadecylidene-3-tetradecyloxetan-2-one
SYSTEMATIC NAME: (4Z)-4-pentadecylidene-3-tetradecyl-oxetan-2-one
MOLECULAR FORMULA: C32H60O2
MOLECULAR WEIGHT: 476.8176
SMILES: CCCCCCCCCCCCCC/C=C\1/C(C(=O)O1)CCCCCCCCCCCCCC
Structure:
CAS RN: 84989-41-3
CAS Name: (4Z)-4-pentadecylidene-3-tetradecyl-2-oxetanone
OPENEYE Name: (4Z)-4-pentadecylidene-3-tetradecyl-oxetan-2-one
IUPAC Name: (4Z)-4-pentadecylidene-3-tetradecyloxetan-2-one
SYSTEMATIC NAME: (4Z)-4-pentadecylidene-3-tetradecyl-oxetan-2-one
MOLECULAR FORMULA: C32H60O2
MOLECULAR WEIGHT: 476.8176
SMILES: CCCCCCCCCCCCCC/C=C\1/C(C(=O)O1)CCCCCCCCCCCCCC
Structure:
CAS RN: 42254-63-7
CAS Name: (Z)-9-octadecenoic acid heptyl ester
OPENEYE Name: heptyl (Z)-octadec-9-enoate
IUPAC Name: heptyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: heptyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C25H48O2
MOLECULAR WEIGHT: 380.64742
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCC
Structure:
CAS RN: 41729-43-5
CAS Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
OPENEYE Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide
IUPAC Name: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
SYSTEMATIC NAME: N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide
MOLECULAR FORMULA: C21H23IN2O2
MOLECULAR WEIGHT: 462.32399
SMILES: CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)/C=C/N(C3=CC=CC=C3)C(=O)C.[I-]
Structure:
CAS RN: 41682-04-6
CAS Name: N-[(E)-2-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
OPENEYE Name: N-[(E)-2-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide
IUPAC Name: N-[(E)-2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
SYSTEMATIC NAME: N-[(E)-2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide
MOLECULAR FORMULA: C15H19IN2OS
MOLECULAR WEIGHT: 402.29363
SMILES: CC[N+]1=C(SCC1)/C=C/N(C2=CC=CC=C2)C(=O)C.[I-]
Structure:
CAS RN: 41672-54-2
CAS Name: N-[(E)-2-(3-ethyl-2-benzo[g][1,3]benzoxazol-3-iumyl)ethenyl]-N-phenylacetamide iodide
OPENEYE Name: N-[(E)-2-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide
IUPAC Name: N-[(E)-2-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
SYSTEMATIC NAME: N-[(E)-2-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide
MOLECULAR FORMULA: C23H21IN2O2
MOLECULAR WEIGHT: 484.32951
SMILES: CC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)/C=C/N(C4=CC=CC=C4)C(=O)C.[I-]
Structure:
CAS RN: 41639-83-2
CAS Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)O)CC[C@H](CCC2=CC=CC=C2)O)O
Structure:
CAS RN: 41504-42-1
CAS Name: (5Z)-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1-methyl-3-prop-2-enyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: (5Z)-3-allyl-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1-methyl-2-thioxo-imidazolidin-4-one
IUPAC Name: (5Z)-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(2E)-2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1-methyl-3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CCN\1C2=CC=CC=C2O/C1=C/C=C\3/C(=O)N(C(=S)N3C)CC=C
Structure:
CAS RN: 41463-67-6
CAS Name: (E)-bis(1-phenyl-5-tetrazolyl)diazene
OPENEYE Name: (E)-bis(1-phenyltetrazol-5-yl)diazene
IUPAC Name: (E)-bis(1-phenyltetrazol-5-yl)diazene
SYSTEMATIC NAME: (E)-bis(1-phenyl-1,2,3,4-tetrazol-5-yl)diazene
MOLECULAR FORMULA: C14H10N10
MOLECULAR WEIGHT: 318.2962
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)/N=N/C3=NN=NN3C4=CC=CC=C4
Structure:
CAS RN: 41461-12-5
CAS Name: acetic acid [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylenecyclohexyl] ester
OPENEYE Name: [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetoxy-4-methylene-cyclohexyl] acetate
IUPAC Name: [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylidenecyclohexyl] acetate
SYSTEMATIC NAME: [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylidene-cyclohexyl] ethanoate
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 41062-71-9
CAS Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate
OPENEYE Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)vinyl]indol-1-ium sulfate
IUPAC Name: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium sulfate
MOLECULAR FORMULA: C44H46N4O4S
MOLECULAR WEIGHT: 726.92544
SMILES: CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.CC1=C(C2=CC=CC=C2N1)/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)C.[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 40931-15-5
CAS Name: (E)-3-(2,5-dihydroxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[2,5-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CCOC(=O)/C=C/C1=C(C=CC(=C1)O)O
Structure:
CAS RN: 40785-64-6
CAS Name: (2Z,9R,11S)-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
OPENEYE Name: (2Z,9R,11S)-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
IUPAC Name: (2Z,9R,11S)-9,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
SYSTEMATIC NAME: (2Z,9R,11S)-11-methyl-9,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
MOLECULAR FORMULA: C18H22O6
MOLECULAR WEIGHT: 334.36368
SMILES: C[C@H]1C[C@H](CC(=O)CCC/C=C\C2=CC(=CC(=C2C(=O)O1)O)O)O
Structure:
CAS RN: 40757-80-0
CAS Name: (9E,12E)-octadeca-9,12-dienethioic acid S-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] este
OPENEYE Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (9E,12E)-octadeca-9,12-dienethioate
IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (9E,12E)-octadeca-9,12-dienethioate
SYSTEMATIC NAME: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (9E,12E)-octadeca-9,12-dienethioate
MOLECULAR FORMULA: C39H66N7O17P3S
MOLECULAR WEIGHT: 1029.964323
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
Structure:
CAS RN: 40716-42-5
CAS Name: (Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)-9-octadecenamide
OPENEYE Name: (Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide
IUPAC Name: (Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide
SYSTEMATIC NAME: (Z,12R)-N,N-bis(2-hydroxyethyl)-12-oxidanyl-octadec-9-enamide
MOLECULAR FORMULA: C22H43NO4
MOLECULAR WEIGHT: 385.58112
SMILES: CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N(CCO)CCO)O
Structure:
CAS RN: 40704-04-9
CAS Name: 5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
OPENEYE Name: 5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)vinyl]phenyl]-1,3-benzoxazole
IUPAC Name: 5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
SYSTEMATIC NAME: 5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
MOLECULAR FORMULA: C29H23NO
MOLECULAR WEIGHT: 401.49902
SMILES: CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=CC=CC=C5)C
Structure:
CAS RN: 40677-77-8
CAS Name: hexanedioic acid O1-[(Z)-octadec-9-enyl] ester O6-[(E)-octadec-9-enyl] ester
OPENEYE Name: O1-[(Z)-octadec-9-enyl] O6-[(E)-octadec-9-enyl] hexanedioate
IUPAC Name: 1-O-[(Z)-octadec-9-enyl] 6-O-[(E)-octadec-9-enyl] hexanedioate
SYSTEMATIC NAME: O1-[(Z)-octadec-9-enyl] O6-[(E)-octadec-9-enyl] hexanedioate
MOLECULAR FORMULA: C42H78O4
MOLECULAR WEIGHT: 647.06632
SMILES: CCCCCCCC/C=C/CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 40564-00-9
CAS Name: (E)-1,1-diethoxy-2-nonene
OPENEYE Name: (E)-1,1-diethoxynon-2-ene
IUPAC Name: (E)-1,1-diethoxynon-2-ene
SYSTEMATIC NAME: (E)-1,1-diethoxynon-2-ene
MOLECULAR FORMULA: C13H26O2
MOLECULAR WEIGHT: 214.34434
SMILES: CCCCCC/C=C/C(OCC)OCC
Structure:
CAS RN: 40544-68-1
CAS Name: (Z)-2-butenedioic acid dibutyl ester; 1-ethenyl-2-pyrrolidinone
OPENEYE Name: dibutyl (Z)-but-2-enedioate; 1-vinylpyrrolidin-2-one
IUPAC Name: dibutyl (Z)-but-2-enedioate; 1-ethenylpyrrolidin-2-one
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; 1-ethenylpyrrolidin-2-one
MOLECULAR FORMULA: C18H29NO5
MOLECULAR WEIGHT: 339.42656
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.C=CN1CCCC1=O
Structure:
CAS RN: 40470-68-6
CAS Name: 1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
OPENEYE Name: 1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)vinyl]phenyl]phenyl]vinyl]benzene
IUPAC Name: 1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
MOLECULAR FORMULA: C30H26O2
MOLECULAR WEIGHT: 418.52624
SMILES: COC1=CC=CC=C1/C=C/C2=CC=C(C=C2)C3=CC=C(C=C3)/C=C/C4=CC=CC=C4OC
Structure:
CAS RN: 154413-61-3
CAS Name: (E)-3-[6-[[(2,6-dichlorophenyl)thio]methyl]-3-(2-phenylethoxy)-2-pyridinyl]-2-propenoic acid
OPENEYE Name: (E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)-2-pyridyl]prop-2-enoic acid
IUPAC Name: (E)-3-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-3-(2-phenylethoxy)pyridin-2-yl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[6-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]-3-(2-phenylethoxy)pyridin-2-yl]prop-2-enoic acid
MOLECULAR FORMULA: C23H19Cl2NO3S
MOLECULAR WEIGHT: 460.37286
SMILES: C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=C(C=CC=C3Cl)Cl)/C=C/C(=O)O
Structure:
CAS RN: 126268-88-0
CAS Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-d
OPENEYE Name: (5R,8S,11R,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,19-dimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22
SYSTEMATIC NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacy
MOLECULAR FORMULA: C47H70N10O12
MOLECULAR WEIGHT: 967.1185
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 136892-64-3
CAS Name: 7-[(4R,5R)-4-hydroxy-5-[(E,3R)-3-hydroxyoct-1-enyl]-2-(1-oxobutoxy)-1-cyclopentenyl]heptanoic acid butyl ester
OPENEYE Name: butyl 7-[(4R,5R)-2-butanoyloxy-4-hydroxy-5-[(E,3R)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoate
IUPAC Name: butyl 7-[(4R,5R)-2-butanoyloxy-4-hydroxy-5-[(E,3R)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]heptanoate
SYSTEMATIC NAME: butyl 7-[(4R,5R)-2-butanoyloxy-4-oxidanyl-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]heptanoate
MOLECULAR FORMULA: C28H48O6
MOLECULAR WEIGHT: 480.67712
SMILES: CCCCC[C@H](/C=C/[C@H]1[C@@H](CC(=C1CCCCCCC(=O)OCCCC)OC(=O)CCC)O)O
Structure:
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