CAS RN: 68107-19-7
CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-N,N-dipentylaniline iodide
OPENEYE Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-N,N-dipentyl-aniline iodide
IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipentylaniline iodide
SYSTEMATIC NAME: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-N,N-dipentyl-aniline iodide
MOLECULAR FORMULA: C24H35IN2
MOLECULAR WEIGHT: 478.45257
SMILES: CCCCCN(CCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]
Structure:
CAS RN: 68072-53-7
CAS Name: hexasodium 4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
OPENEYE Name: hexasodium 4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
IUPAC Name: hexasodium 4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
SYSTEMATIC NAME: hexasodium 4-[[4-[bis(2-hydroxyethyl)amino]-6-[[4-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-[(2,4-disulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
MOLECULAR FORMULA: C40H38N12Na6O22S6
MOLECULAR WEIGHT: 1369.12554
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 62371-00-0
CAS Name: (1E,4E)-1,5-bis[4-(2-oxiranylmethoxy)phenyl]-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one
MOLECULAR FORMULA: C23H22O5
MOLECULAR WEIGHT: 378.41778
SMILES: C1OC1COC2=CC=C(C=C2)/C=C/C(=O)/C=C/C3=CC=C(C=C3)OCC4OC4
Structure:
CAS RN: 68072-45-7
CAS Name: (1E,4E)-1,5-bis[4-(2-oxiranylmethoxy)phenyl]-3-penta-1,4-dienone; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one; 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol; 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one; 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 4-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(bromanyl)phenol; (1E,4E)-1,5-bis[4-(oxiran-2-ylmethoxy)phenyl]penta-1,4-dien-3-one; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C53H50Br4O9
MOLECULAR WEIGHT: 1150.5747
SMILES: CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C.CC(C1=CC(=C(C(=C1)Br)O)Br)(C2=CC(=C(C(=C2)Br)O)Br)C.C1OC1COC2=CC=C(C=C2)/C=C/C(=O)/C=C/C3=CC=C(C=C3)OCC4OC4
Structure:
CAS RN: 68039-03-2
CAS Name: (E)-5-(2,2,3,4-tetramethyl-1-cyclopent-3-enyl)-3-penten-2-one
OPENEYE Name: (E)-5-(2,2,3,4-tetramethylcyclopent-3-en-1-yl)pent-3-en-2-one
IUPAC Name: (E)-5-(2,2,3,4-tetramethylcyclopent-3-en-1-yl)pent-3-en-2-one
SYSTEMATIC NAME: (E)-5-(2,2,3,4-tetramethylcyclopent-3-en-1-yl)pent-3-en-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1=C(C(C(C1)C/C=C/C(=O)C)(C)C)C
Structure:
CAS RN: 130964-43-1
CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide
OPENEYE Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide
IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C20H20ClN3O2S
MOLECULAR WEIGHT: 401.9097
SMILES: C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 110053-29-7
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine; (Z)-2-butenedioic acid dimethyl ester
OPENEYE Name: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine; dimethyl (Z)-but-2-enedioate
IUPAC Name: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; dimethyl (Z)-but-2-enedioate
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine; dimethyl (Z)-but-2-enedioate
MOLECULAR FORMULA: C16H30N2O4
MOLECULAR WEIGHT: 314.4204
SMILES: CC1(CC(CC(C1)(C)CN)N)C.COC(=O)/C=C\C(=O)OC
Structure:
CAS RN: 108675-63-4
CAS Name: (2S)-2-amino-N-[(2S,5R,7E,9E,11R,13S)-2-amino-5-formyl-13-hydroxy-4-(4-hydroxy-3-iodophenyl)-7,9,11-trimethyl-3,6-dioxotetradeca-7,9-dien-5-yl]-N-methylpropanamide
OPENEYE Name: (2S)-2-amino-N-[(1R,3E,5E,7R,9S)-1-[(3S)-3-amino-1-(4-hydroxy-3-iodo-phenyl)-2-oxo-butyl]-1-formyl-9-hydroxy-3,5,7-trimethyl-2-oxo-deca-3,5-dienyl]-N-methyl-propanamide
IUPAC Name: (2S)-2-amino-N-[(2S,5R,7E,9E,11R,13S)-2-amino-5-formyl-13-hydroxy-4-(4-hydroxy-3-iodophenyl)-7,9,11-trimethyl-3,6-dioxotetradeca-7,9-dien-5-yl]-N-methylpropanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2S,5R,7E,9E,11R,13S)-2-azanyl-4-(3-iodanyl-4-oxidanyl-phenyl)-5-methanoyl-7,9,11-trimethyl-13-oxidanyl-3,6-bis(oxidanylidene)tetradeca-7,9-dien-5-yl]-N-methyl-propanamide
MOLECULAR FORMULA: C28H40IN3O6
MOLECULAR WEIGHT: 641.53817
SMILES: C[C@H](C[C@H](C)O)/C=C(\C)/C=C(\C)/C(=O)[C@](C=O)(C(C1=CC(=C(C=C1)O)I)C(=O)[C@H](C)N)N(C)C(=O)[C@H](C)N
Structure:
CAS RN: 108605-66-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@@H]1CC(=O)[C@]/2([C@@H]1C[C@]3(CC[C@@H]([C@@H]3C/C=C2/C=O)C(=C)C)C)O
Structure:
CAS RN: 108590-75-6
CAS Name: (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-1-propanol
OPENEYE Name: (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
IUPAC Name: (5Z)-5-[(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
SYSTEMATIC NAME: (5Z)-5-[(3aS,4R,5R,6aR)-5-oxidanyl-3-oxidanylidene-4-[(E,3S)-3-oxidanyloct-1-enyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid; (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C30H45NO7
MOLECULAR WEIGHT: 531.6808
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]2[C@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O)O.C[C@@H]([C@@H](C1=CC=CC=C1)O)NC
Structure:
CAS RN: 108351-51-5
CAS Name: (2E,4E,8E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4,8-trienamide
OPENEYE Name: (2E,4E,8E)-N-[(1S,2R)-2-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl]propyl]tetradeca-2,4,8-trienamide
IUPAC Name: (2E,4E,8E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4,8-trienamide
SYSTEMATIC NAME: (2E,4E,8E)-N-[(2S,3R)-1-[[(3Z,5S,8S,10S)-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-3-en-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]tetradeca-2,4,8-trienamide
MOLECULAR FORMULA: C29H46N4O6
MOLECULAR WEIGHT: 546.69874
SMILES: CCCCC/C=C/CC/C=C/C=C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CCNC(=O)/C=C\[C@@H](NC1=O)C)O
Structure:
CAS RN: 108351-33-3
CAS Name: (3E,5E,11E,13Z)-16-[4-[4-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-2-methoxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]-2-oxanyl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
OPENEYE Name: (3E,5E,11E,13Z)-16-[3-[4-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-methoxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]tetrahydropyran-2-yl]-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-o
IUPAC Name: (3E,5E,11E,13Z)-16-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methoxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
SYSTEMATIC NAME: (3E,5E,11E,13Z)-3,15-dimethoxy-16-[4-[2-methoxy-5-methyl-4-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-oxidanyl-pentan-2-yl]-5,7,9,11-tetramethyl-8-oxidanyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
MOLECULAR FORMULA: C44H70O12
MOLECULAR WEIGHT: 791.0194
SMILES: C/C=C/C=C/C1C(C(CC(O1)(C(C)C(C(C)C2C(/C=C\C=C(\CC(C(C(/C=C(/C=C(\C(=O)O2)/OC)\C)C)O)C)/C)OC)O)OC)OC3CC(C(C(O3)C)O)O)C
Structure:
CAS RN: 107745-56-2
CAS Name: (1S,2E,5R,7S,8S,9S,10E,14R,15R,16S)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-8-[[(1S,7R,9S,10R)-10-hydroxy-1,7-dimethyl-3-oxo-2,4,8-trioxaspiro[4.5]decan-9-yl]oxy]-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-
OPENEYE Name: (1S,2E,5R,7S,8S,9S,10E,14R,15R,16S)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-8-[[(1S,7R,9S,10R)-10-hydroxy-1,7-dimethyl-3-oxo-2,4,8-trioxaspiro[4.5]decan-9-yl]oxy]-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.
IUPAC Name: (1S,2E,5R,7S,8S,9S,10E,14R,15R,16S)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8-[[(1S,7R,9S,10R)-10-hydroxy-1,7-dimethyl-3-oxo-2,4,8-trioxaspiro[4.5]decan-9-yl]oxy]-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-
SYSTEMATIC NAME: (1S,2E,5R,7S,8S,9S,10E,14R,15R,16S)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-8-[[(1S,7R,9S,10R)-1,7-dimethyl-10-oxidanyl-3-oxidanylidene-2,4,8-trioxaspiro[4.5]decan-9-yl]oxy]-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1
MOLECULAR FORMULA: C37H56O15
MOLECULAR WEIGHT: 740.83154
SMILES: C[C@H]1C[C@H](C(=O)/C=C/[C@H]2[C@@H](O2)[C@@H]([C@H](OC(=O)/C=C/[C@@H]([C@H]1O[C@H]3[C@@H](C4(C[C@H](O3)C)[C@@H](OC(=O)O4)C)O)C)C)CO[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O)OC)OC)C
Structure:
CAS RN: 107473-04-1
CAS Name: N-[(5Z,13Z)-9,10-dihydroxy-2-[[4-hydroxy-5-(hydroxyamino)-3-[[4-methoxy-5-(propan-2-ylamino)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[(5Z,13Z)-9,10-dihydroxy-2-[4-hydroxy-5-(hydroxyamino)-3-[5-(isopropylamino)-4-methoxy-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbama
IUPAC Name: methyl N-[(5Z,13Z)-9,10-dihydroxy-2-[4-hydroxy-5-(hydroxyamino)-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
SYSTEMATIC NAME: methyl N-[(5Z,13Z)-2-[3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyl-4-oxidanyl-5-(oxidanylamino)oxan-2-yl]oxy-13-[2-(methyltrisulfanyl)ethylidene]-9,10-bis(oxidanyl)-11-oxidanylidene-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
MOLECULAR FORMULA: C33H45N3O12S3
MOLECULAR WEIGHT: 771.9183
SMILES: CC1C(C(C(C(O1)OC2C#C/C=C\C#CC\3(C(C(=O)C(=C2/C3=C/CSSSC)NC(=O)OC)O)O)OC4CC(C(CO4)NC(C)C)OC)O)NO
Structure:
CAS RN: 107290-03-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H50N4O6
MOLECULAR WEIGHT: 718.8803
SMILES: CCC12CCCN3C1C4(CC3)C5=C(C=C(C(=C5)C6=CC7=NC89CCC\1C(C8(C7=CC6=O)CCN9C/C1=C\C)C(=O)OC)OC)N(C4=C(C2)C(=O)OC)C
Structure:
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