CAS RN: 15935-52-1
CAS Name: N-[4-amino-3-[5-(1-amino-4-benzamido-9,10-dioxo-2-anthracenyl)-1,3,4-oxadiazol-2-yl]-9,10-dioxo-1-anthracenyl]benzamide
OPENEYE Name: N-[4-amino-3-[5-(1-amino-4-benzamido-9,10-dioxo-2-anthryl)-1,3,4-oxadiazol-2-yl]-9,10-dioxo-1-anthryl]benzamide
IUPAC Name: N-[4-amino-3-[5-(1-amino-4-benzamido-9,10-dioxoanthracen-2-yl)-1,3,4-oxadiazol-2-yl]-9,10-dioxoanthracen-1-yl]benzamide
SYSTEMATIC NAME: N-[4-azanyl-3-[5-[1-azanyl-4-benzamido-9,10-bis(oxidanylidene)anthracen-2-yl]-1,3,4-oxadiazol-2-yl]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C44H26N6O7
MOLECULAR WEIGHT: 750.71324
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C(=C2)C4=NN=C(O4)C5=CC(=C6C(=C5N)C(=O)C7=CC=CC=C7C6=O)NC(=O)C8=CC=CC=C8)N)C(=O)C9=CC=CC=C9C3=O
CAS RN: 121053-43-8
CAS Name: 1-oxodecylaluminum dihydrate
OPENEYE Name: decanoylaluminum dihydrate
IUPAC Name: decanoylaluminum dihydrate
SYSTEMATIC NAME: decanoylaluminum dihydrate
MOLECULAR FORMULA: C10H23AlO3
MOLECULAR WEIGHT: 218.269358
SMILES: CCCCCCCCCC(=O)[Al].O.O
CAS RN: 93384-76-0
CAS Name: acetic acid; 3-methyl-6-propan-2-yl-1-cyclohexenol
OPENEYE Name: acetic acid; 6-isopropyl-3-methyl-cyclohexen-1-ol
IUPAC Name: acetic acid; 3-methyl-6-propan-2-ylcyclohexen-1-ol
SYSTEMATIC NAME: ethanoic acid; 3-methyl-6-propan-2-yl-cyclohexen-1-ol
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: CC1CCC(C(=C1)O)C(C)C.CC(=O)O
CAS RN: 85187-64-0
CAS Name: disodium; 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: disodium; 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: disodium; 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: disodium; 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C34H47N11Na2O14S2
MOLECULAR WEIGHT: 943.91182
SMILES: COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+]
CAS RN: 84074-42-0
CAS Name: [4-[(2,6-dichlorophenyl)-(4-imino-3,5-dimethyl-1-cyclohexa-2,5-dienylidene)methyl]-2,6-dimethylphenyl]methanamine; thiocyanic acid
OPENEYE Name: [4-[(2,6-dichlorophenyl)-(4-imino-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methyl]-2,6-dimethyl-phenyl]methanamine; thiocyanic acid
IUPAC Name: [4-[(2,6-dichlorophenyl)-(4-imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)methyl]-2,6-dimethylphenyl]methanamine; thiocyanic acid
SYSTEMATIC NAME: [4-[(4-azanylidene-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)-[2,6-bis(chloranyl)phenyl]methyl]-2,6-dimethyl-phenyl]methanamine; thiocyanic acid
MOLECULAR FORMULA: C25H25Cl2N3S
MOLECULAR WEIGHT: 470.4571
SMILES: CC1=CC(=CC(=C1CN)C)C(=C2C=C(C(=N)C(=C2)C)C)C3=C(C=CC=C3Cl)Cl.C(#N)S
CAS RN: 39024-57-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C98H128N20O31
MOLECULAR WEIGHT: 2082.18032
SMILES: CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CC5CNC6=CC=CC=C56)NC(=O)C7C
CAS RN: 94133-89-8
CAS Name: tetrasodium (3Z)-5-amino-3-[[4-[6-[(2E)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-1H-benzimidazol-2-yl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: tetrasodium (3Z)-5-amino-3-[[4-[6-[(2E)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-1H-benzimidazol-2-yl]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: tetrasodium (3Z)-5-amino-3-[[4-[6-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-1H-benzimidazol-2-yl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: tetrasodium (3Z)-5-azanyl-3-[[4-[6-[(2E)-2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-1H-benzimidazol-2-yl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C33H20N8Na4O14S4
MOLECULAR WEIGHT: 972.77618
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N/N=C\4/C(=CC5=CC(=CC(=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C/6\C(=CC7=CC(=CC(=C7C6=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
CAS RN: 93894-46-3
CAS Name: calcium 8,8-dimethylnonanoate
OPENEYE Name: calcium 8,8-dimethylnonanoate
IUPAC Name: calcium 8,8-dimethylnonanoate
SYSTEMATIC NAME: calcium 8,8-dimethylnonanoate
MOLECULAR FORMULA: C22H42CaO4
MOLECULAR WEIGHT: 410.64448
SMILES: CC(C)(C)CCCCCCC(=O)[O-].CC(C)(C)CCCCCCC(=O)[O-].[Ca+2]
CAS RN: 74276-41-8
CAS Name: 2-diazonio-5-[4-[2-[4-[(6-diazonio-5-oxido-1-naphthalenyl)sulfonyloxy]phenyl]-5-(2-ethoxyethoxy)-5-oxopentan-2-yl]phenoxy]sulfonyl-1-naphthalenolate
OPENEYE Name: 2-diazonio-5-[4-[1-[4-[(6-diazonio-5-oxido-1-naphthyl)sulfonyloxy]phenyl]-4-(2-ethoxyethoxy)-1-methyl-4-oxo-butyl]phenoxy]sulfonyl-naphthalen-1-olate
IUPAC Name: 2-diazonio-5-[4-[2-[4-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxyphenyl]-5-(2-ethoxyethoxy)-5-oxopentan-2-yl]phenoxy]sulfonylnaphthalen-1-olate
SYSTEMATIC NAME: 2-diazonio-5-[4-[2-[4-(6-diazonio-5-oxidanidyl-naphthalen-1-yl)sulfonyloxyphenyl]-5-(2-ethoxyethoxy)-5-oxidanylidene-pentan-2-yl]phenoxy]sulfonyl-naphthalen-1-olate
MOLECULAR FORMULA: C41H34N4O11S2
MOLECULAR WEIGHT: 822.85886
SMILES: CCOCCOC(=O)CCC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3[O-])[N+]#N)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC6=C5C=CC(=C6[O-])[N+]#N
CAS RN: 73240-13-8
CAS Name: 2-hydroxybenzoic acid 3-[(2-hydroxyphenyl)-oxomethoxy]butyl ester
OPENEYE Name: 3-(2-hydroxybenzoyl)oxybutyl 2-hydroxybenzoate
IUPAC Name: 3-(2-hydroxybenzoyl)oxybutyl 2-hydroxybenzoate
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)carbonyloxybutyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: CC(CCOC(=O)C1=CC=CC=C1O)OC(=O)C2=CC=CC=C2O
CAS RN: 143718-35-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H50BN3O7
MOLECULAR WEIGHT: 659.6198
SMILES: B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)C(CCCOC)N4CCC[C@@]4(C(=O)[C@@H](CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)C(=O)N
CAS RN: 94109-00-9
CAS Name: disodium (3E)-5-methyl-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3E)-5-methyl-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3E)-5-methyl-3-[[4-[4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-5-methyl-3-[[4-[4-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C30H22N6Na2O7S
MOLECULAR WEIGHT: 656.57622
SMILES: CC1=C/C(=N\NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)[O-])C)/C=C(C1=O)C(=O)[O-].[Na+].[Na+]
CAS RN: 94279-06-8
CAS Name: 3-(chloromethyl)-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 3-(chloromethyl)-7-hydroxy-chromen-2-one
IUPAC Name: 3-(chloromethyl)-7-hydroxychromen-2-one
SYSTEMATIC NAME: 3-(chloromethyl)-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H7ClO3
MOLECULAR WEIGHT: 210.61378
SMILES: C1=CC2=C(C=C1O)OC(=O)C(=C2)CCl
CAS RN: 84083-24-9
CAS Name: 2-[2-aminoethyl-[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethanol
OPENEYE Name: 2-[2-aminoethyl-[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethanol
IUPAC Name: 2-[2-aminoethyl-[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethanol
SYSTEMATIC NAME: 2-[2-azanylethyl-[2-[bis(2-hydroxyethyl)amino]ethyl]amino]ethanol
MOLECULAR FORMULA: C10H25N3O3
MOLECULAR WEIGHT: 235.3238
SMILES: C(CN(CCN(CCO)CCO)CCO)N
CAS RN: 99035-50-4
CAS Name: sodium; (2S)-5-oxo-2-pyrrolidinecarboxylate; trihydroxy(methyl)silane
OPENEYE Name: sodium; (2S)-5-oxopyrrolidine-2-carboxylate; trihydroxy(methyl)silane
IUPAC Name: sodium; (2S)-5-oxopyrrolidine-2-carboxylate; trihydroxy(methyl)silane
SYSTEMATIC NAME: sodium; methyl-tris(oxidanyl)silane; (2S)-5-oxidanylidenepyrrolidine-2-carboxylate
MOLECULAR FORMULA: C6H12NNaO6Si
MOLECULAR WEIGHT: 245.23785
SMILES: C[Si](O)(O)O.C1CC(=O)N[C@@H]1C(=O)[O-].[Na+]
CAS RN: 94089-03-9
CAS Name: 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]decane
OPENEYE Name: 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]decane
IUPAC Name: 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]decane
SYSTEMATIC NAME: 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]decane
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC1CC(CC2(C1)OCC(O2)C)(C)C
CAS RN: 85223-29-6
CAS Name: dipotassium (3Z)-5-amino-3-[[4-[[4-(2,4-diaminophenyl)azophenyl]sulfamoyl]phenyl]hydrazinylidene]-6-(4-nitrophenyl)azo-4-oxonaphthalene-2,7-disulfonate
OPENEYE Name: dipotassium (3Z)-5-amino-3-[[4-[[4-(2,4-diaminophenyl)azophenyl]sulfamoyl]phenyl]hydrazono]-6-(4-nitrophenyl)azo-4-oxo-naphthalene-2,7-disulfonate
IUPAC Name: dipotassium (3Z)-5-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfamoyl]phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: dipotassium (3Z)-5-azanyl-3-[[4-[[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]sulfamoyl]phenyl]hydrazinylidene]-6-[(4-nitrophenyl)diazenyl]-4-oxidanylidene-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C34H25K2N11O11S3
MOLECULAR WEIGHT: 938.021
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=CC=C(C=C2)N/N=C/3\C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=CC=C(C=C5)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C(C=C(C=C6)N)N.[K+].[K+]
CAS RN: 71583-13-6
CAS Name: 2,5-dibutoxy-4-(1-pyrrolidinyl)benzenediazonium hexafluorophosphate
OPENEYE Name: 2,5-dibutoxy-4-pyrrolidin-1-yl-benzenediazonium hexafluorophosphate
IUPAC Name: 2,5-dibutoxy-4-pyrrolidin-1-ylbenzenediazonium hexafluorophosphate
SYSTEMATIC NAME: 2,5-dibutoxy-4-pyrrolidin-1-yl-benzenediazonium hexafluorophosphate
MOLECULAR FORMULA: C18H28F6N3O2P
MOLECULAR WEIGHT: 463.398
SMILES: CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCCC2.F[P-](F)(F)(F)(F)F
CAS RN: 84788-18-1
CAS Name: 1-(2-hydroxypropylamino)-2-propanol; 7-methyloctanoic acid
OPENEYE Name: 1-(2-hydroxypropylamino)propan-2-ol; 7-methyloctanoic acid
IUPAC Name: 1-(2-hydroxypropylamino)propan-2-ol; 7-methyloctanoic acid
SYSTEMATIC NAME: 7-methyloctanoic acid; 1-(2-oxidanylpropylamino)propan-2-ol
MOLECULAR FORMULA: C15H33NO4
MOLECULAR WEIGHT: 291.42682
SMILES: CC(C)CCCCCC(=O)O.CC(CNCC(C)O)O
CAS RN: 93893-09-5
CAS Name: 2,4-dimethylbenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 2,4-dimethylbenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 2,4-dimethylbenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 2,4-dimethylbenzenesulfonic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C12H21NO5S
MOLECULAR WEIGHT: 291.36384
SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)C.C(CO)NCCO
CAS RN: 94349-34-5
CAS Name: 2-aminoethanol; molecular iodine
OPENEYE Name: 2-aminoethanol; molecular iodine
IUPAC Name: 2-aminoethanol; molecular iodine
SYSTEMATIC NAME: 2-azanylethanol; molecular iodine
MOLECULAR FORMULA: C2H7I2NO
MOLECULAR WEIGHT: 314.89202
SMILES: C(CO)N.II
CAS RN: 129539-34-0
CAS Name: ammonium; buta-1,3-diene; 3-carboxy-3-butenoate; 2-propenoic acid; styrene
OPENEYE Name: ammonium; acrylic acid; buta-1,3-diene; 3-carboxybut-3-enoate; styrene
IUPAC Name: azanium; buta-1,3-diene; 3-carboxybut-3-enoate; prop-2-enoic acid; styrene
SYSTEMATIC NAME: azanium; buta-1,3-diene; 3-carboxybut-3-enoate; ethenylbenzene; prop-2-enoic acid
MOLECULAR FORMULA: C20H27NO6
MOLECULAR WEIGHT: 377.43148
SMILES: C=CC=C.C=CC1=CC=CC=C1.C=CC(=O)O.C=C(CC(=O)[O-])C(=O)O.[NH4+]
CAS RN: 84642-67-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CCCCC(CC)C(=O)OCC1CC2CC1C3C2CCC3
CAS RN: 94333-48-9
CAS Name: lithium 3,4-dihydroxy-4-oxobutanoate
OPENEYE Name: lithium 3,4-dihydroxy-4-oxo-butanoate
IUPAC Name: lithium 3,4-dihydroxy-4-oxobutanoate
SYSTEMATIC NAME: lithium 3,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C4H5LiO5
MOLECULAR WEIGHT: 140.0205
SMILES: [Li+].C(C(C(=O)O)O)C(=O)[O-]
CAS RN: 77130-83-7
CAS Name: sodium 4-amino-3,5-dichloro-6-fluoro-2-pyridin-1-idone
OPENEYE Name: sodium 4-amino-3,5-dichloro-6-fluoro-pyridin-1-id-2-one
IUPAC Name: sodium 4-amino-3,5-dichloro-6-fluoropyridin-1-id-2-one
SYSTEMATIC NAME: sodium 4-azanyl-3,5-bis(chloranyl)-6-fluoranyl-pyridin-1-id-2-one
MOLECULAR FORMULA: C5H2Cl2FN2NaO
MOLECULAR WEIGHT: 218.976353
SMILES: C1(=C(C(=O)[N-]C(=C1Cl)F)Cl)N.[Na+]
CAS RN: 83949-48-8
CAS Name: disodium 1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 1-(2-methyl-4-sulfonato-phenyl)-5-oxo-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 1-(2-methyl-4-sulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 1-(2-methyl-4-sulfonato-phenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C11H8N2Na2O6S
MOLECULAR WEIGHT: 342.23556
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)CC(=N2)C(=O)[O-].[Na+].[Na+]
CAS RN: 91263-67-1
CAS Name: N-[3-(dimethylamino)propyl]-2-methyl-2-propenamide; sulfuric acid
OPENEYE Name: N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; sulfuric acid
IUPAC Name: N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide; sulfuric acid
SYSTEMATIC NAME: N-[3-(dimethylamino)propyl]-2-methyl-prop-2-enamide; sulfuric acid
MOLECULAR FORMULA: C18H38N4O6S
MOLECULAR WEIGHT: 438.58252
SMILES: CC(=C)C(=O)NCCCN(C)C.CC(=C)C(=O)NCCCN(C)C.OS(=O)(=O)O
CAS RN: 74512-24-6
CAS Name: chloromethylphosphonic acid; 2-methyl-2-heneicosanamine
OPENEYE Name: chloromethylphosphonic acid; 2-methylhenicosan-2-amine
IUPAC Name: chloromethylphosphonic acid; 2-methylhenicosan-2-amine
SYSTEMATIC NAME: chloromethylphosphonic acid; 2-methylhenicosan-2-amine
MOLECULAR FORMULA: C45H98ClN2O3P
MOLECULAR WEIGHT: 781.697981
SMILES: CCCCCCCCCCCCCCCCCCCC(C)(C)N.CCCCCCCCCCCCCCCCCCCC(C)(C)N.C(P(=O)(O)O)Cl
CAS RN: 99604-17-8
CAS Name: 2-[2-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol hydrochloride
OPENEYE Name: 2-[2-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]-1H-indol-3-yl]ethanol hydrochloride
IUPAC Name: 2-[2-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol hydrochloride
MOLECULAR FORMULA: C19H25ClN2O
MOLECULAR WEIGHT: 332.8676
SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2C3=C(C4=CC=CC=C4N3)CCO.Cl
CAS RN: 147072-42-2
CAS Name: (8S,9S,10R,13S,14S,17S)-17-[4-(dimethylamino)-1-oxobutyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-[4-(dimethylamino)butanoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-[4-(dimethylamino)butanoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-[4-(dimethylamino)butanoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C25H39NO2
MOLECULAR WEIGHT: 385.58266
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CCCN(C)C)CCC4=CC(=O)CC[C@]34C
CAS RN: 97158-19-5
CAS Name: europium(2+); hexabromosilicon(2-)
OPENEYE Name: europium(2+); hexabromosilicon(2-)
IUPAC Name: europium(2+); hexabromosilicon(2-)
SYSTEMATIC NAME: europium(2+); hexakis(bromanyl)silicon(2-)
MOLECULAR FORMULA: Br6EuSi
MOLECULAR WEIGHT: 659.4735
SMILES: [Si-2](Br)(Br)(Br)(Br)(Br)Br.[Eu+2]
CAS RN: 17315-18-3
CAS Name: 2-[(4-nitrophenyl)methylthio]-1H-imidazole hydrochloride
OPENEYE Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole hydrochloride
IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazole hydrochloride
MOLECULAR FORMULA: C10H10ClN3O2S
MOLECULAR WEIGHT: 271.7233
SMILES: C1=CC(=CC=C1CSC2=NC=CN2)[N+](=O)[O-].Cl
CAS RN: 90778-79-3
CAS Name: (2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C17H19NO5
MOLECULAR WEIGHT: 317.33646
SMILES: CC(C)[C@@H](C(=O)O)NC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2
CAS RN: 93455-40-4
CAS Name: butane-1,1-diol; octacosanoic acid
OPENEYE Name: butane-1,1-diol; octacosanoic acid
IUPAC Name: butane-1,1-diol; octacosanoic acid
SYSTEMATIC NAME: butane-1,1-diol; octacosanoic acid
MOLECULAR FORMULA: C32H66O4
MOLECULAR WEIGHT: 514.86404
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCC(O)O
CAS RN: 85410-06-6
CAS Name: aluminum 2-propan-2-yl-1-naphthalenesulfonate
OPENEYE Name: aluminum 2-isopropylnaphthalene-1-sulfonate
IUPAC Name: aluminum 2-propan-2-ylnaphthalene-1-sulfonate
SYSTEMATIC NAME: aluminum 2-propan-2-ylnaphthalene-1-sulfonate
MOLECULAR FORMULA: C39H39AlO9S3
MOLECULAR WEIGHT: 774.898098
SMILES: CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].CC(C)C1=C(C2=CC=CC=C2C=C1)S(=O)(=O)[O-].[Al+3]
CAS RN: 84803-64-5
CAS Name: 2-cyano-2-(1-cycloheptenyl)butanoic acid methyl ester
OPENEYE Name: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate
IUPAC Name: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate
SYSTEMATIC NAME: methyl 2-cyano-2-(cyclohepten-1-yl)butanoate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCC(C#N)(C1=CCCCCC1)C(=O)OC
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