CAS RN: 42507-57-3
CAS Name: (1R,2S,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-1-cyclohex-3-enecarboxaldehyde
OPENEYE Name: (1R,2S,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
IUPAC Name: (1R,2S,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: (1R,2S,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C[C@@H]1C[C@H]([C@H](C=C1C)C=C(C)C)C=O
Structure:
CAS RN: 42507-56-2
CAS Name: (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)-1-cyclohex-3-enecarboxaldehyde
OPENEYE Name: (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
IUPAC Name: (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: (1R,2R,5S)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C[C@H]1C[C@H]([C@@H](C=C1C)C=C(C)C)C=O
Structure:
CAS RN: 42507-55-1
CAS Name: (1R,2R,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-1-cyclohex-3-enecarboxaldehyde
OPENEYE Name: (1R,2R,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
IUPAC Name: (1R,2R,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
SYSTEMATIC NAME: (1R,2R,5R)-4,5-dimethyl-2-(2-methylprop-1-enyl)cyclohex-3-ene-1-carbaldehyde
MOLECULAR FORMULA: C13H20O
MOLECULAR WEIGHT: 192.2973
SMILES: C[C@@H]1C[C@H]([C@@H](C=C1C)C=C(C)C)C=O
Structure:
CAS RN: 42506-03-6
CAS Name: 9-chloro-9-phenylxanthene
OPENEYE Name: 9-chloro-9-phenyl-xanthene
IUPAC Name: 9-chloro-9-phenylxanthene
SYSTEMATIC NAME: 9-chloranyl-9-phenyl-xanthene
MOLECULAR FORMULA: C19H13ClO
MOLECULAR WEIGHT: 292.75892
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)Cl
Structure:
CAS RN: 42452-55-1
CAS Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol
OPENEYE Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol
IUPAC Name: 2-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]ethanol
SYSTEMATIC NAME: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]-propyl-amino]ethanol
MOLECULAR FORMULA: C12H14F3N3O5
MOLECULAR WEIGHT: 337.25187
SMILES: CCCN(CCO)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 42451-07-0
CAS Name: 6-ethyl-2-methyl-3-pyridinol
OPENEYE Name: 6-ethyl-2-methyl-pyridin-3-ol
IUPAC Name: 6-ethyl-2-methylpyridin-3-ol
SYSTEMATIC NAME: 6-ethyl-2-methyl-pyridin-3-ol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CCC1=NC(=C(C=C1)O)C
Structure:
CAS RN: 42438-88-0
CAS Name: (8R,13S,14S,17R)-17-hydroxy-2,2,13,17-tetramethyl-6,7,8,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,13S,14S,17R)-17-hydroxy-2,2,13,17-tetramethyl-6,7,8,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,13S,14S,17R)-17-hydroxy-2,2,13,17-tetramethyl-6,7,8,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,13S,14S,17R)-2,2,13,17-tetramethyl-17-oxidanyl-6,7,8,14,15,16-hexahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: C[C@]1(CC[C@@H]2[C@@]1(C=CC3=C4CC(C(=O)C=C4CC[C@H]23)(C)C)C)O
Structure:
CAS RN: 42438-76-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CC1CCC=C2C1(C3C(C(C2=O)OC3(C)C)O)C
Structure:
CAS RN: 42423-89-2
CAS Name: 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate
OPENEYE Name: 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name: 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-ethyl-2-methyl-1,3-benzoselenazol-3-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H19NO3SSe
MOLECULAR WEIGHT: 396.36266
SMILES: CC[N+]1=C([Se]C2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 42419-94-3
CAS Name: trisodium 2-[bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino]acetate
OPENEYE Name: trisodium 2-[bis[(2-hydroxy-5-sulfonato-phenyl)methyl]amino]acetate
IUPAC Name: trisodium 2-[bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino]acetate
SYSTEMATIC NAME: trisodium 2-[bis[(2-oxidanyl-5-sulfonato-phenyl)methyl]amino]ethanoate
MOLECULAR FORMULA: C16H14NNa3O10S2
MOLECULAR WEIGHT: 513.38237
SMILES: C1=CC(=C(C=C1S(=O)(=O)[O-])CN(CC2=C(C=CC(=C2)S(=O)(=O)[O-])O)CC(=O)[O-])O.[Na+].[Na+].[Na+]
Structure:
CAS RN: 42413-23-0
CAS Name: octanedioic acid bis(phenylmethyl) ester
OPENEYE Name: dibenzyl octanedioate
IUPAC Name: dibenzyl octanedioate
SYSTEMATIC NAME: bis(phenylmethyl) octanedioate
MOLECULAR FORMULA: C22H26O4
MOLECULAR WEIGHT: 354.43944
SMILES: C1=CC=C(C=C1)COC(=O)CCCCCCC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 42398-14-1
CAS Name: 2-methylenehexanoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate
IUPAC Name: 2-ethylhexyl prop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-ethylhexyl prop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C26H44O8
MOLECULAR WEIGHT: 484.62276
SMILES: CCCCC(CC)COC(=O)C=C.CCCCC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O
Structure:
CAS RN: 42379-68-0
CAS Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate
OPENEYE Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate
IUPAC Name: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 3-ethyl-5-methoxy-2-methyl-1,3-benzothiazol-3-ium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H21NO4S2
MOLECULAR WEIGHT: 379.49364
SMILES: CC[N+]1=C(SC2=C1C=C(C=C2)OC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 42372-37-2
CAS Name: 2-diazonio-5-(2,3-dibromopropoxysulfonyl)-1-naphthalenolate
OPENEYE Name: 2-diazonio-5-(2,3-dibromopropoxysulfonyl)naphthalen-1-olate
IUPAC Name: 2-diazonio-5-(2,3-dibromopropoxysulfonyl)naphthalen-1-olate
SYSTEMATIC NAME: 5-[2,3-bis(bromanyl)propoxysulfonyl]-2-diazonio-naphthalen-1-olate
MOLECULAR FORMULA: C13H10Br2N2O4S
MOLECULAR WEIGHT: 450.1025
SMILES: C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)S(=O)(=O)OCC(CBr)Br
Structure:
CAS RN: 42372-33-8
CAS Name: 2-diazonio-5-(2-methoxyethoxysulfonyl)-1-naphthalenolate
OPENEYE Name: 2-diazonio-5-(2-methoxyethoxysulfonyl)naphthalen-1-olate
IUPAC Name: 2-diazonio-5-(2-methoxyethoxysulfonyl)naphthalen-1-olate
SYSTEMATIC NAME: 2-diazonio-5-(2-methoxyethoxysulfonyl)naphthalen-1-olate
MOLECULAR FORMULA: C13H12N2O5S
MOLECULAR WEIGHT: 308.30978
SMILES: COCCOS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N
Structure:
CAS RN: 42372-00-9
CAS Name: 4-[(dimethylamino)methyl]-2,5-dimethylphenol hydrochloride
OPENEYE Name: 4-[(dimethylamino)methyl]-2,5-dimethyl-phenol hydrochloride
IUPAC Name: 4-[(dimethylamino)methyl]-2,5-dimethylphenol hydrochloride
SYSTEMATIC NAME: 4-[(dimethylamino)methyl]-2,5-dimethyl-phenol hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: CC1=CC(=C(C=C1CN(C)C)C)O.Cl
Structure:
CAS RN: 42340-98-7
CAS Name: 1-[(1R)-1-isocyanatoethyl]naphthalene
OPENEYE Name: 1-[(1R)-1-isocyanatoethyl]naphthalene
IUPAC Name: 1-[(1R)-1-isocyanatoethyl]naphthalene
SYSTEMATIC NAME: 1-[(1R)-1-isocyanatoethyl]naphthalene
MOLECULAR FORMULA: C13H11NO
MOLECULAR WEIGHT: 197.23254
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)N=C=O
Structure:
CAS RN: 42293-27-6
CAS Name: 2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulfonic acid
OPENEYE Name: 2-(2-amino-4-chloro-phenoxy)-5-chloro-benzenesulfonic acid
IUPAC Name: 2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulfonic acid
SYSTEMATIC NAME: 2-(2-azanyl-4-chloranyl-phenoxy)-5-chloranyl-benzenesulfonic acid
MOLECULAR FORMULA: C12H9Cl2NO4S
MOLECULAR WEIGHT: 334.17516
SMILES: C1=CC(=C(C=C1Cl)N)OC2=C(C=C(C=C2)Cl)S(=O)(=O)O
Structure:
CAS RN: 42268-60-0
CAS Name: 2-(1-naphthalenylmethyl)-1H-benzimidazole
OPENEYE Name: 2-(1-naphthylmethyl)-1H-benzimidazole
IUPAC Name: 2-(naphthalen-1-ylmethyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-(naphthalen-1-ylmethyl)-1H-benzimidazole
MOLECULAR FORMULA: C18H14N2
MOLECULAR WEIGHT: 258.31716
SMILES: C1=CC=C2C(=C1)C=CC=C2CC3=NC4=CC=CC=C4N3
Structure:
CAS RN: 42265-58-7
CAS Name: 4-(ethylamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(ethylamino)benzoate
IUPAC Name: ethyl 4-(ethylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(ethylamino)benzoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCNC1=CC=C(C=C1)C(=O)OCC
Structure:
CAS RN: 42262-65-7
CAS Name: ammonium; 2-propenoate; 2-propenoic acid methyl ester
OPENEYE Name: ammonium; methyl prop-2-enoate; prop-2-enoate
IUPAC Name: azanium; methyl prop-2-enoate; prop-2-enoate
SYSTEMATIC NAME: azanium; methyl prop-2-enoate; prop-2-enoate
MOLECULAR FORMULA: C7H13NO4
MOLECULAR WEIGHT: 175.18242
SMILES: COC(=O)C=C.C=CC(=O)[O-].[NH4+]
Structure:
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