CAS RN: 85030-62-2
CAS Name: 3-oxo-N-phenyl-2-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]butanamide
OPENEYE Name: 3-oxo-N-phenyl-2-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazino]butanamide
IUPAC Name: 3-oxo-N-phenyl-2-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]butanamide
SYSTEMATIC NAME: 3-oxidanylidene-N-phenyl-2-[(2E)-2-(1,2,4-triazol-3-ylidene)hydrazinyl]butanamide
MOLECULAR FORMULA: C12H12N6O2
MOLECULAR WEIGHT: 272.26268
SMILES: CC(=O)C(C(=O)NC1=CC=CC=C1)N/N=C/2\N=CN=N2
CAS RN: 94087-07-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1(CCOC2C3CCCCC3C2(C1)C)C
CAS RN: 93964-66-0
CAS Name: disodium 2-anilino-5-[[4-(4-anilino-3-sulfonatoanilino)-2,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl]amino]benzenesulfonate
OPENEYE Name: disodium 2-anilino-5-[[4-(4-anilino-3-sulfonato-anilino)-2,5-dichloro-3,6-dioxo-cyclohexa-1,4-dien-1-yl]amino]benzenesulfonate
IUPAC Name: disodium 2-anilino-5-[[4-(4-anilino-3-sulfonatoanilino)-2,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[2,5-bis(chloranyl)-3,6-bis(oxidanylidene)-4-[(4-phenylazanyl-3-sulfonato-phenyl)amino]cyclohexa-1,4-dien-1-yl]amino]-2-phenylazanyl-benzenesulfonate
MOLECULAR FORMULA: C30H20Cl2N4Na2O8S2
MOLECULAR WEIGHT: 745.51734
SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C(=O)C(=C(C3=O)Cl)NC4=CC(=C(C=C4)NC5=CC=CC=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 799247-52-2
CAS Name: N-[[2-chloro-5-[(1Z)-1-[(6-methyl-2-pyridinyl)methoxyimino]ethyl]phenyl]methyl]carbamic acid methyl ester
OPENEYE Name: methyl N-[[2-chloro-5-[(Z)-C-methyl-N-[(6-methyl-2-pyridyl)methoxy]carbonimidoyl]phenyl]methyl]carbamate
IUPAC Name: methyl N-[[2-chloro-5-[(Z)-C-methyl-N-[(6-methylpyridin-2-yl)methoxy]carbonimidoyl]phenyl]methyl]carbamate
SYSTEMATIC NAME: methyl N-[[2-chloranyl-5-[(Z)-C-methyl-N-[(6-methylpyridin-2-yl)methoxy]carbonimidoyl]phenyl]methyl]carbamate
MOLECULAR FORMULA: C18H20ClN3O3
MOLECULAR WEIGHT: 361.8227
SMILES: CC1=NC(=CC=C1)CO/N=C(/C)\C2=CC(=C(C=C2)Cl)CNC(=O)OC
CAS RN: 85554-73-0
CAS Name: 3-[3-[diethoxy(methyl)silyl]propoxy]-1-propanamine
OPENEYE Name: 3-[3-[diethoxy(methyl)silyl]propoxy]propan-1-amine
IUPAC Name: 3-[3-[diethoxy(methyl)silyl]propoxy]propan-1-amine
SYSTEMATIC NAME: 3-[3-[diethoxy(methyl)silyl]propoxy]propan-1-amine
MOLECULAR FORMULA: C11H27NO3Si
MOLECULAR WEIGHT: 249.42248
SMILES: CCO[Si](C)(CCCOCCCN)OCC
CAS RN: 93962-75-5
CAS Name: 2-bromopropanoic acid 2-[4-[2-[4-[2-(2-bromo-1-oxopropoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl ester
OPENEYE Name: 2-[4-[1-[4-[2-(2-bromopropanoyloxy)ethoxy]phenyl]-1-methyl-ethyl]phenoxy]ethyl 2-bromopropanoate
IUPAC Name: 2-[4-[2-[4-[2-(2-bromopropanoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-bromopropanoate
SYSTEMATIC NAME: 2-[4-[2-[4-[2-(2-bromanylpropanoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-bromanylpropanoate
MOLECULAR FORMULA: C25H30Br2O6
MOLECULAR WEIGHT: 586.3101
SMILES: CC(C(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C(C)Br)Br
CAS RN: 94094-67-4
CAS Name: 1-[3-(dimethylamino)propylamino]-4-(2-ethylhexylamino)anthracene-9,10-dione; 2-ethylhexanoic acid
OPENEYE Name: 1-[3-(dimethylamino)propylamino]-4-(2-ethylhexylamino)anthracene-9,10-dione; 2-ethylhexanoic acid
IUPAC Name: 1-[3-(dimethylamino)propylamino]-4-(2-ethylhexylamino)anthracene-9,10-dione; 2-ethylhexanoic acid
SYSTEMATIC NAME: 1-[3-(dimethylamino)propylamino]-4-(2-ethylhexylamino)anthracene-9,10-dione; 2-ethylhexanoic acid
MOLECULAR FORMULA: C35H53N3O4
MOLECULAR WEIGHT: 579.81302
SMILES: CCCCC(CC)CNC1=C2C(=C(C=C1)NCCCN(C)C)C(=O)C3=CC=CC=C3C2=O.CCCCC(CC)C(=O)O
CAS RN: 79255-89-3
CAS Name: potassium sodium 7-(4-amino-5-methoxy-2-methylphenyl)azonaphthalene-1,3-disulfonate
OPENEYE Name: potassium sodium 7-(4-amino-5-methoxy-2-methyl-phenyl)azonaphthalene-1,3-disulfonate
IUPAC Name: potassium sodium 7-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonate
SYSTEMATIC NAME: potassium sodium 7-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C18H15KN3NaO7S2
MOLECULAR WEIGHT: 511.54567
SMILES: CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N.[Na+].[K+]
CAS RN: 97889-88-8
CAS Name: tetradecanoic acid [(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-(1-oxotetradecoxy)ethyl]-3-oxolanyl] ester
OPENEYE Name: [(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-tetradecanoyloxy-ethyl]tetrahydrofuran-3-yl] tetradecanoate
IUPAC Name: [(3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-tetradecanoyloxyethyl]oxolan-3-yl] tetradecanoate
SYSTEMATIC NAME: [(3R,4S)-4-oxidanyl-2-[(1R)-2-oxidanyl-1-tetradecanoyloxy-ethyl]oxolan-3-yl] tetradecanoate
MOLECULAR FORMULA: C34H64O7
MOLECULAR WEIGHT: 584.86776
SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](COC1[C@@H](CO)OC(=O)CCCCCCCCCCCCC)O
CAS RN: 94247-16-2
CAS Name: cadmium(2+); 2-[6-methylheptoxy(oxo)methyl]benzoate
OPENEYE Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate
IUPAC Name: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate
SYSTEMATIC NAME: cadmium(2+); 2-(6-methylheptoxycarbonyl)benzoate
MOLECULAR FORMULA: C32H42CdO8
MOLECULAR WEIGHT: 667.08208
SMILES: CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Cd+2]
CAS RN: 82799-33-5
CAS Name: 1-[3-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]-3-dodecoxy-2-propanol hydrochloride
OPENEYE Name: 1-[3-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]-3-dodecoxy-propan-2-ol hydrochloride
IUPAC Name: 1-[3-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]-3-dodecoxypropan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[3-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]-3-dodecoxy-propan-2-ol hydrochloride
MOLECULAR FORMULA: C29H64ClN3O6
MOLECULAR WEIGHT: 586.28796
SMILES: CCCCCCCCCCCCOCC(CN(CCCN(CCCN(CCO)CCO)CCO)CCO)O.Cl
CAS RN: 84625-57-0
CAS Name: acetic acid [1-formyl-7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-yl-2-naphthalenyl)-3,8-dihydroxy-6-methyl-4-propan-2-yl-2-naphthalenyl] ester
OPENEYE Name: [1-formyl-7-(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl)-3,8-dihydroxy-4-isopropyl-6-methyl-2-naphthyl] acetate
IUPAC Name: [1-formyl-7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-3,8-dihydroxy-6-methyl-4-propan-2-ylnaphthalen-2-yl] acetate
SYSTEMATIC NAME: [1-methanoyl-7-[8-methanoyl-3-methyl-1,6,7-tris(oxidanyl)-5-propan-2-yl-naphthalen-2-yl]-6-methyl-3,8-bis(oxidanyl)-4-propan-2-yl-naphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C32H32O9
MOLECULAR WEIGHT: 560.59108
SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)OC(=O)C)C=O)C
CAS RN: 74203-94-4
CAS Name: carbamimidoylimino-(phenylmethylene)ammonium; 2,3-dihydroxybutanedioate
OPENEYE Name: benzylidene(carbamimidoylimino)ammonium; 2,3-dihydroxybutanedioate
IUPAC Name: benzylidene(carbamimidoylimino)azanium; 2,3-dihydroxybutanedioate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioate; carbamimidoylimino-(phenylmethylidene)azanium
MOLECULAR FORMULA: C20H22N8O6
MOLECULAR WEIGHT: 470.43868
SMILES: C1=CC=C(C=C1)C=[N+]=NC(=N)N.C1=CC=C(C=C1)C=[N+]=NC(=N)N.C(C(C(=O)[O-])O)(C(=O)[O-])O
CAS RN: 94113-43-6
CAS Name: acetic acid 3-(1,2,2-trimethylcyclohexyl)propyl ester
OPENEYE Name: 3-(1,2,2-trimethylcyclohexyl)propyl acetate
IUPAC Name: 3-(1,2,2-trimethylcyclohexyl)propyl acetate
SYSTEMATIC NAME: 3-(1,2,2-trimethylcyclohexyl)propyl ethanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CC(=O)OCCCC1(CCCCC1(C)C)C
CAS RN: 156147-85-2
CAS Name: 2-methyl-2-propenoic acid 2-[[2,4,4,6,8,8-hexakis[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy]-6-(2,4,6-tribromophenoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]oxy]ethyl ester
OPENEYE Name: 2-[[2,4,4,6,8,8-hexakis[2-(2-methylprop-2-enoyloxy)ethoxy]-6-(2,4,6-tribromophenoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]oxy]ethyl 2-methylprop-2-enoate
IUPAC Name: 2-[[2,4,4,6,8,8-hexakis[2-(2-methylprop-2-enoyloxy)ethoxy]-6-(2,4,6-tribromophenoxy)-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]oxy]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[[2,4,4,6,8,8-hexakis[2-(2-methylprop-2-enoyloxy)ethoxy]-6-[2,4,6-tris(bromanyl)phenoxy]-1,3,5,7-tetraza-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]oxy]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C48H65Br3N4O22P4
MOLECULAR WEIGHT: 1413.650344
SMILES: CC(=C)C(=O)OCCOP1(=NP(=NP(=NP(=N1)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C)(OCCOC(=O)C(=C)C)OC2=C(C=C(C=C2Br)Br)Br)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C
CAS RN: 94237-03-3
CAS Name: 1-amino-2-propanol; nonanedioic acid
OPENEYE Name: 1-aminopropan-2-ol; nonanedioic acid
IUPAC Name: 1-aminopropan-2-ol; nonanedioic acid
SYSTEMATIC NAME: 1-azanylpropan-2-ol; nonanedioic acid
MOLECULAR FORMULA: C12H25NO5
MOLECULAR WEIGHT: 263.3306
SMILES: CC(CN)O.C(CCCC(=O)O)CCCC(=O)O
CAS RN: 93918-84-4
CAS Name: dodecyl-ethyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfonium; 4-methylbenzenesulfonate
OPENEYE Name: dodecyl-ethyl-[3-(2-ethylhexoxy)-3-oxo-propyl]sulfonium; 4-methylbenzenesulfonate
IUPAC Name: dodecyl-ethyl-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: dodecyl-ethyl-[3-(2-ethylhexoxy)-3-oxidanylidene-propyl]sulfanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C32H58O5S2
MOLECULAR WEIGHT: 586.92992
SMILES: CCCCCCCCCCCC[S+](CC)CCC(=O)OCC(CC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
CAS RN: 85223-02-5
CAS Name: 5-chloro-2-methylbenzenediazonium; naphthalene-1,5-disulfonate
OPENEYE Name: 5-chloro-2-methyl-benzenediazonium; naphthalene-1,5-disulfonate
IUPAC Name: 5-chloro-2-methylbenzenediazonium; naphthalene-1,5-disulfonate
SYSTEMATIC NAME: 5-chloranyl-2-methyl-benzenediazonium; naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C24H18Cl2N4O6S2
MOLECULAR WEIGHT: 593.45892
SMILES: CC1=C(C=C(C=C1)Cl)[N+]#N.CC1=C(C=C(C=C1)Cl)[N+]#N.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
CAS RN: 94159-42-9
CAS Name: 2-(1-hydroxy-2-methylpropan-2-yl)-1,3-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione
OPENEYE Name: 2-(2-hydroxy-1,1-dimethyl-ethyl)-1,3-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione
IUPAC Name: 2-(1-hydroxy-2-methylpropan-2-yl)-1,3-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione
SYSTEMATIC NAME: 2-(2-methyl-1-oxidanyl-propan-2-yl)-1,3-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5,8-dione
MOLECULAR FORMULA: C10H15N3O3
MOLECULAR WEIGHT: 225.2444
SMILES: CC(C)(CO)N1CN2C(=O)C=CC(=O)N2C1
CAS RN: 145417-44-3
CAS Name: 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid 7-oxabicyclo[4.1.0]heptan-4-ylmethyl ester; 2-propenenitrile; styrene
OPENEYE Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate; prop-2-enenitrile; styrene
IUPAC Name: 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate; prop-2-enenitrile; styrene
SYSTEMATIC NAME: ethenylbenzene; 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 7-oxabicyclo[4.1.0]heptane-4-carboxylate; prop-2-enenitrile
MOLECULAR FORMULA: C25H31NO4
MOLECULAR WEIGHT: 409.51794
SMILES: C=CC#N.C=CC1=CC=CC=C1.C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4
CAS RN: 94199-82-3
CAS Name: trisodium hydroxy-[[phosphonatomethyl(propan-2-yl)amino]methyl]phosphinate
OPENEYE Name: trisodium hydroxy-[[isopropyl(phosphonatomethyl)amino]methyl]phosphinate
IUPAC Name: trisodium hydroxy-[[phosphonatomethyl(propan-2-yl)amino]methyl]phosphinate
SYSTEMATIC NAME: trisodium oxidanyl-[[phosphonatomethyl(propan-2-yl)amino]methyl]phosphinate
MOLECULAR FORMULA: C5H12NNa3O6P2
MOLECULAR WEIGHT: 313.068712
SMILES: CC(C)N(CP(=O)(O)[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+]
CAS RN: 94094-43-6
CAS Name: 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropoxy]pentyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
IUPAC Name: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C63H82N2O26
MOLECULAR WEIGHT: 1283.32298
SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
CAS RN: 68921-87-9
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; furan-2,5-dione; 3-(3-hydroxypropoxy)-1-propanol
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; furan-2,5-dione; 3-(3-hydroxypropoxy)propan-1-ol
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; furan-2,5-dione; 3-(3-oxidanylpropoxy)propan-1-ol
MOLECULAR FORMULA: C14H29N3O6
MOLECULAR WEIGHT: 335.39656
SMILES: C1=CC(=O)OC1=O.C(CO)COCCCO.C(CNCCN)N
CAS RN: 83969-13-5
CAS Name: 5-[4-(dimethylamino)phenyl]azo-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine; hydrogen sulfate
OPENEYE Name: 5-[4-(dimethylamino)phenyl]azo-N,N-diisopropyl-4-methyl-1,3,4-thiadiazol-4-ium-2-amine; hydrogen sulfate
IUPAC Name: 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine; hydrogen sulfate
SYSTEMATIC NAME: 5-[[4-(dimethylamino)phenyl]diazenyl]-4-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine; hydrogen sulfate
MOLECULAR FORMULA: C17H28N6O4S2
MOLECULAR WEIGHT: 444.57202
SMILES: CC(C)N(C1=N[N+](=C(S1)N=NC2=CC=C(C=C2)N(C)C)C)C(C)C.OS(=O)(=O)[O-]
CAS RN: 126948-55-8
CAS Name: 1-(3,3-diethoxy-2-methylpropyl)-4-methylbenzene
OPENEYE Name: 1-(3,3-diethoxy-2-methyl-propyl)-4-methyl-benzene
IUPAC Name: 1-(3,3-diethoxy-2-methylpropyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(3,3-diethoxy-2-methyl-propyl)-4-methyl-benzene
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CCOC(C(C)CC1=CC=C(C=C1)C)OCC
CAS RN: 847780-86-3
CAS Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]-2-propanol
OPENEYE Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1-[4-(2-isopropoxyethoxymethyl)phenoxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
SYSTEMATIC NAME: 6-chloranyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
MOLECULAR FORMULA: C25H39ClN4O8S2
MOLECULAR WEIGHT: 623.18216
SMILES: CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
CAS RN: 94200-63-2
CAS Name: tetraammonium [4-morpholinyl(phosphonato)methyl]-dioxido-oxophosphorane
OPENEYE Name: tetraammonium [morpholino(phosphonato)methyl]-dioxido-oxo-$l^{5}-phosphane
IUPAC Name: tetraazanium [morpholin-4-yl(phosphonato)methyl]-dioxido-oxo-$l^{5}-phosphane
SYSTEMATIC NAME: tetraazanium [morpholin-4-yl(phosphonato)methyl]-bis(oxidanidyl)-oxidanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H25N5O7P2
MOLECULAR WEIGHT: 329.228822
SMILES: C1COCCN1C(P(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
CAS RN: 93982-18-4
CAS Name: 5-(2-nonylphenoxy)-5-oxopentanoic acid
OPENEYE Name: 5-(2-nonylphenoxy)-5-oxo-pentanoic acid
IUPAC Name: 5-(2-nonylphenoxy)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(2-nonylphenoxy)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCCCCCCCC1=CC=CC=C1OC(=O)CCCC(=O)O
CAS RN: 17430-82-9
CAS Name: 1-dodecanamine; (Z)-9-octadecenoic acid
OPENEYE Name: dodecan-1-amine; (Z)-octadec-9-enoic acid
IUPAC Name: dodecan-1-amine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: dodecan-1-amine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C30H61NO2
MOLECULAR WEIGHT: 467.81084
SMILES: CCCCCCCCCCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)O
CAS RN: 71550-26-0
CAS Name: hexasodium (2S)-2-[bis(phosphonatomethyl)amino]butanedioate
OPENEYE Name: hexasodium (2S)-2-[bis(phosphonatomethyl)amino]butanedioate
IUPAC Name: hexasodium (2S)-2-[bis(phosphonatomethyl)amino]butanedioate
SYSTEMATIC NAME: hexasodium (2S)-2-[bis(phosphonatomethyl)amino]butanedioate
MOLECULAR FORMULA: C6H7NNa6O10P2
MOLECULAR WEIGHT: 453.006622
SMILES: C([C@@H](C(=O)[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
CAS RN: 93840-28-9
CAS Name: (5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methanol
OPENEYE Name: (5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methanol
IUPAC Name: (5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methanol
SYSTEMATIC NAME: (5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methanol
MOLECULAR FORMULA: C13H22O
MOLECULAR WEIGHT: 194.31318
SMILES: CC1(CCC=C2C1CCCC2CO)C
CAS RN: 94231-98-8
CAS Name: dihydrogen phosphate; 2-methyl-4,5-dihydro-1H-imidazol-3-ium
OPENEYE Name: dihydrogen phosphate; 2-methyl-4,5-dihydro-1H-imidazol-3-ium
IUPAC Name: dihydrogen phosphate; 2-methyl-4,5-dihydro-1H-imidazol-3-ium
SYSTEMATIC NAME: dihydrogen phosphate; 2-methyl-4,5-dihydro-1H-imidazol-3-ium
MOLECULAR FORMULA: C4H11N2O4P
MOLECULAR WEIGHT: 182.114901
SMILES: CC1=[NH+]CCN1.OP(=O)(O)[O-]
CAS RN: 93982-83-3
CAS Name: ammonium hydroxy-[[7-methyloctyl(phosphonomethyl)amino]methyl]phosphinate
OPENEYE Name: ammonium hydroxy-[[7-methyloctyl(phosphonomethyl)amino]methyl]phosphinate
IUPAC Name: azanium hydroxy-[[7-methyloctyl(phosphonomethyl)amino]methyl]phosphinate
SYSTEMATIC NAME: azanium [7-methyloctyl(phosphonomethyl)amino]methyl-oxidanyl-phosphinate
MOLECULAR FORMULA: C11H30N2O6P2
MOLECULAR WEIGHT: 348.313222
SMILES: CC(C)CCCCCCN(CP(=O)(O)O)CP(=O)(O)[O-].[NH4+]
CAS RN: 85068-69-5
CAS Name: 1-dodecanamine; 2-ethylhexanoic acid
OPENEYE Name: dodecan-1-amine; 2-ethylhexanoic acid
IUPAC Name: dodecan-1-amine; 2-ethylhexanoic acid
SYSTEMATIC NAME: dodecan-1-amine; 2-ethylhexanoic acid
MOLECULAR FORMULA: C20H43NO2
MOLECULAR WEIGHT: 329.56092
SMILES: CCCCCCCCCCCCN.CCCCC(CC)C(=O)O
CAS RN: 111173-25-2
CAS Name: 1,1,2,2-tetrafluoroethene; 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
OPENEYE Name: 1,1,2,2-tetrafluoroethylene; 1,1,2,2-tetrafluoro-2-(1,2,2-trifluorovinyloxy)ethanesulfonic acid
IUPAC Name: 1,1,2,2-tetrafluoroethene; 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
SYSTEMATIC NAME: 1,1,2,2-tetrakis(fluoranyl)ethene; 1,1,2,2-tetrakis(fluoranyl)-2-[1,2,2-tris(fluoranyl)ethenoxy]ethanesulfonic acid
MOLECULAR FORMULA: C6HF11O4S
MOLECULAR WEIGHT: 378.117175
SMILES: C(=C(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F.C(=C(F)F)(F)F
CAS RN: 94442-13-4
CAS Name: ethanamine; 2-(6-methoxy-2-naphthalenyl)propanoic acid
OPENEYE Name: ethanamine; 2-(6-methoxy-2-naphthyl)propanoic acid
IUPAC Name: ethanamine; 2-(6-methoxynaphthalen-2-yl)propanoic acid
SYSTEMATIC NAME: ethanamine; 2-(6-methoxynaphthalen-2-yl)propanoic acid
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CCN.CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
CAS RN: 94158-32-4
CAS Name: sodium 3-[(2E)-5,6-dichloro-2-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-3-methyl-1-benzimidazolyl]-1-propanesulfonate
OPENEYE Name: sodium 3-[(2E)-5,6-dichloro-2-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-3-methyl-benzimidazol-1-yl]propane-1-sulfonate
IUPAC Name: sodium 3-[(2E)-5,6-dichloro-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-methylbenzimidazol-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: sodium 3-[(2E)-5,6-bis(chloranyl)-2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-3-methyl-benzimidazol-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C16H16Cl2N3NaO4S3
MOLECULAR WEIGHT: 504.40671
SMILES: CCN1C(=O)/C(=C\2/N(C3=CC(=C(C=C3N2CCCS(=O)(=O)[O-])Cl)Cl)C)/SC1=S.[Na+]
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