CAS RN: 10362-71-7
CAS Name: (3Z)-3-[(5Z)-5-[(5E)-5-(2-oxo-1H-indol-3-ylidene)-2-thiophenylidene]-2-thiophenylidene]-1H-indol-2-one
OPENEYE Name: (3Z)-3-[(5Z)-5-[(5E)-5-(2-oxoindolin-3-ylidene)-2-thienylidene]-2-thienylidene]indolin-2-one
IUPAC Name: (3Z)-3-[(5Z)-5-[(5E)-5-(2-oxo-1H-indol-3-ylidene)thiophen-2-ylidene]thiophen-2-ylidene]-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-[(5Z)-5-[(5E)-5-(2-oxidanylidene-1H-indol-3-ylidene)thiophen-2-ylidene]thiophen-2-ylidene]-1H-indol-2-one
MOLECULAR FORMULA: C24H14N2O2S2
MOLECULAR WEIGHT: 426.51016
SMILES: C1=CC=C2C(=C1)/C(=C\3/C=C/C(=C/4\C=C/C(=C/5\C6=CC=CC=C6NC5=O)/S4)/S3)/C(=O)N2
CAS RN: 94349-42-5
CAS Name: 2,4-diamino-6-methylphenol; sulfuric acid
OPENEYE Name: 2,4-diamino-6-methyl-phenol; sulfuric acid
IUPAC Name: 2,4-diamino-6-methylphenol; sulfuric acid
SYSTEMATIC NAME: 2,4-bis(azanyl)-6-methyl-phenol; sulfuric acid
MOLECULAR FORMULA: C7H12N2O5S
MOLECULAR WEIGHT: 236.24558
SMILES: CC1=CC(=CC(=C1O)N)N.OS(=O)(=O)O
CAS RN: 119756-87-5
CAS Name: 4-hydroxybenzoic acid [2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
OPENEYE Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-hydroxybenzoate
IUPAC Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-hydroxybenzoate
SYSTEMATIC NAME: [3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C14H16O6
MOLECULAR WEIGHT: 280.27324
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=CC=C(C=C1)O)O
CAS RN: 99148-58-0
CAS Name: 4-hydroxybenzoic acid [2-hydroxy-3-(2-methyl-1-oxoprop-2-enoxy)propyl] ester
OPENEYE Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-hydroxybenzoate
IUPAC Name: [2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 4-hydroxybenzoate
SYSTEMATIC NAME: [3-(2-methylprop-2-enoyloxy)-2-oxidanyl-propyl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C14H16O6
MOLECULAR WEIGHT: 280.27324
SMILES: CC(=C)C(=O)OCC(COC(=O)C1=CC=C(C=C1)O)O
CAS RN: 93918-92-4
CAS Name: N-(phenylmethyl)-11-(1-pyrrolidinyl)undecanamide
OPENEYE Name: N-benzyl-11-pyrrolidin-1-yl-undecanamide
IUPAC Name: N-benzyl-11-pyrrolidin-1-ylundecanamide
SYSTEMATIC NAME: N-(phenylmethyl)-11-pyrrolidin-1-yl-undecanamide
MOLECULAR FORMULA: C22H36N2O
MOLECULAR WEIGHT: 344.53404
SMILES: C1CCN(C1)CCCCCCCCCCC(=O)NCC2=CC=CC=C2
CAS RN: 20057-11-8
CAS Name: [(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl] dihydrogen phosphate
OPENEYE Name: [(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl] dihydrogen phosphate
IUPAC Name: [(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C12H23O14P
MOLECULAR WEIGHT: 422.276381
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)OP(=O)(O)O)CO)O)O)O)O
CAS RN: 94278-95-2
CAS Name: 2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
OPENEYE Name: 2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
IUPAC Name: 2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
SYSTEMATIC NAME: 2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethanamine
MOLECULAR FORMULA: C22H41N3
MOLECULAR WEIGHT: 347.58104
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC1=NCCN1CCN
CAS RN: 18296-46-3
CAS Name: 3-methylbutanoic acid [(1S)-6-acetyloxy-7-methylene-1-(3-methyl-1-oxobutoxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl ester
OPENEYE Name: [(1S)-6-acetoxy-1-(3-methylbutanoyloxy)-7-methylene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
IUPAC Name: [(1S)-6-acetyloxy-1-(3-methylbutanoyloxy)-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
SYSTEMATIC NAME: [(1S)-6-acetyloxy-1-(3-methylbutanoyloxy)-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
MOLECULAR FORMULA: C22H32O7
MOLECULAR WEIGHT: 408.48528
SMILES: CC(C)CC(=O)OCC1=CO[C@H](C2C1CC(C2=C)OC(=O)C)OC(=O)CC(C)C
CAS RN: 71501-50-3
CAS Name: benzoic acid; sulfamoyl chloride
OPENEYE Name: benzoic acid; sulfamoyl chloride
IUPAC Name: benzoic acid; sulfamoyl chloride
SYSTEMATIC NAME: benzoic acid; sulfamoyl chloride
MOLECULAR FORMULA: C7H8ClNO4S
MOLECULAR WEIGHT: 237.66072
SMILES: C1=CC=C(C=C1)C(=O)O.NS(=O)(=O)Cl
CAS RN: 70159-87-4
CAS Name: ethene; ethenol; oxirane
OPENEYE Name: ethenol; ethylene; oxirane
IUPAC Name: ethene; ethenol; oxirane
SYSTEMATIC NAME: ethene; ethenol; oxirane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: C=C.C=CO.C1CO1
CAS RN: 199808-02-1
CAS Name: 2-[3-[3-(1,3-dioxo-2-isoindolyl)propylamino]propyl]isoindole-1,3-dione hydrochloride
OPENEYE Name: 2-[3-[3-(1,3-dioxoisoindolin-2-yl)propylamino]propyl]isoindoline-1,3-dione hydrochloride
IUPAC Name: 2-[3-[3-(1,3-dioxoisoindol-2-yl)propylamino]propyl]isoindole-1,3-dione hydrochloride
SYSTEMATIC NAME: 2-[3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]propyl]isoindole-1,3-dione hydrochloride
MOLECULAR FORMULA: C22H22ClN3O4
MOLECULAR WEIGHT: 427.88078
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCN3C(=O)C4=CC=CC=C4C3=O.Cl
CAS RN: 12017-50-4
CAS Name: cobalt; gadolinium
OPENEYE Name: cobalt; gadolinium
IUPAC Name: cobalt; gadolinium
SYSTEMATIC NAME: cobalt; gadolinium
MOLECULAR FORMULA: Co3Gd
MOLECULAR WEIGHT: 334.0496
SMILES: [Co].[Co].[Co].[Gd]
CAS RN: 124537-30-0
CAS Name: (3Z)-5-[[4-(4-morpholinyl)-6-[4-[(E)-2-[4-[[4-(4-morpholinyl)-6-[[(7Z)-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfonato-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-(phenyl
OPENEYE Name: (3Z)-5-[[4-morpholino-6-[4-[(E)-2-[4-[[4-morpholino-6-[[(7Z)-8-oxo-7-(phenylhydrazono)-3,6-disulfonato-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-(phenylhydrazono)naphthalen
IUPAC Name: (3Z)-5-[[4-morpholin-4-yl-6-[4-[(E)-2-[4-[[4-morpholin-4-yl-6-[[(7Z)-8-oxo-7-(phenylhydrazinylidene)-3,6-disulfonatonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-oxo-3-(phenylhy
SYSTEMATIC NAME: (3Z)-5-[[4-morpholin-4-yl-6-[[4-[(E)-2-[4-[[4-morpholin-4-yl-6-[[(7Z)-8-oxidanylidene-7-(phenylhydrazinylidene)-3,6-disulfonato-naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino
MOLECULAR FORMULA: C84H118N22O22S6
MOLECULAR WEIGHT: 1980.35992
SMILES: C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1N(CCOC1)C2=NC(=NC(=N2)NC3=C4C(=O)/C(=N/NC5=CC=CC=C5)/C(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC(=C(C=C6)/C=C/C7=C(C=C(C=C7)NC8=NC(=NC(=N8)N9CCOCC9)NC1=C2C(=O)/C(=N/NC3=C
CAS RN: 94247-89-9
CAS Name: (E)-5-[[4-[[4-[[[(E)-4-carboxylato-2-methylbut-3-enoxy]-oxomethyl]amino]phenyl]methyl]anilino]-oxomethoxy]-4-methyl-2-pentenoate
OPENEYE Name: (E)-5-[[4-[[4-[[(E)-4-carboxylato-2-methyl-but-3-enoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyloxy]-4-methyl-pent-2-enoate
IUPAC Name: (E)-5-[[4-[[4-[[(E)-4-carboxylato-2-methylbut-3-enoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyloxy]-4-methylpent-2-enoate
SYSTEMATIC NAME: (E)-4-methyl-5-[[4-[[4-[[(E)-2-methyl-5-oxidanidyl-5-oxidanylidene-pent-3-enoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyloxy]pent-2-enoate
MOLECULAR FORMULA: C27H28N2O8-2
MOLECULAR WEIGHT: 508.51982
SMILES: CC(/C=C/C(=O)[O-])COC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCC(/C=C/C(=O)[O-])C
CAS RN: 171092-39-0
CAS Name: dodecanoic acid [(3S)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-6-(phosphonooxymethyl)-2-oxanyl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-3-oxanyl]amino]-1-oxotetradecan-3-yl] ester
OPENEYE Name: [(1S)-1-[2-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)tetrahydropyran-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxy-tetrahydropyran-3-yl]amino]-2-oxo-ethyl]dodecyl] dodecan
IUPAC Name: [(3S)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-5-[[(3R)-3-hydroxytetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate
SYSTEMATIC NAME: [(3S)-1-[[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-bis(oxidanyl)-5-[[(3R)-3-oxidanyltetradecanoyl]amino]-6-(phosphonooxymethyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)-4-oxidanyl-5-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] dodecanoate
MOLECULAR FORMULA: C53H102N2O20P2
MOLECULAR WEIGHT: 1149.325902
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)COP(=O)(O)O)O
CAS RN: 13566-08-0
CAS Name: oxygen(2-); samarium(3+); vanadium
OPENEYE Name: oxygen(2-); samarium(3+); vanadium
IUPAC Name: oxygen(2-); samarium(3+); vanadium
SYSTEMATIC NAME: oxygen(2-); samarium(3+); vanadium
MOLECULAR FORMULA: O4SmV-5
MOLECULAR WEIGHT: 265.2991
SMILES: [O-2].[O-2].[O-2].[O-2].[V].[Sm+3]
CAS RN: 73398-32-0
CAS Name: disodium 2-butyl-5-[[4-(4-butyl-3-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate
OPENEYE Name: disodium 2-butyl-5-[[4-(4-butyl-3-sulfonato-anilino)-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]benzenesulfonate
IUPAC Name: disodium 2-butyl-5-[[4-(4-butyl-3-sulfonatoanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate
SYSTEMATIC NAME: disodium 2-butyl-5-[[4-[(4-butyl-3-sulfonato-phenyl)amino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate
MOLECULAR FORMULA: C34H32N2Na2O10S2
MOLECULAR WEIGHT: 738.73482
SMILES: CCCCC1=C(C=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC(=C(C=C4)CCCC)S(=O)(=O)[O-])C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)[O-].[Na+].[Na+]
CAS RN: 93858-33-4
CAS Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethyl]octadeca-9,12-dienamide
OPENEYE Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethyl]octadeca-9,12-dienamide
IUPAC Name: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethyl]octadeca-9,12-dienamide
SYSTEMATIC NAME: (9Z,12Z)-N-[2-[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,5-dihydroimidazol-1-yl]ethyl]octadeca-9,12-dienamide
MOLECULAR FORMULA: C40H71N3O
MOLECULAR WEIGHT: 610.01124
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC1=NCCN1CCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC
CAS RN: 14092-98-9
CAS Name: chromium-52
OPENEYE Name: chromium-52
IUPAC Name: chromium-52
SYSTEMATIC NAME: chromium-52
MOLECULAR FORMULA: Cr
MOLECULAR WEIGHT: 51.940512
SMILES: [52Cr]
CAS RN: 94200-47-2
CAS Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl) phosphate
OPENEYE Name: diammonium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxy-pentadecyl) phosphate
IUPAC Name: diazanium (4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl) phosphate
SYSTEMATIC NAME: diazanium [4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosakis(fluoranyl)-2-oxidanyl-pentadecyl] phosphate
MOLECULAR FORMULA: C15H14F25N2O5P
MOLECULAR WEIGHT: 808.215901
SMILES: C(C(COP(=O)([O-])[O-])O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[NH4+].[NH4+]
CAS RN: 12180-94-8
CAS Name: calcium digallium oxygen(2-)
OPENEYE Name: calcium digallium oxygen(2-)
IUPAC Name: calcium digallium oxygen(2-)
SYSTEMATIC NAME: calcium digallium oxygen(2-)
MOLECULAR FORMULA: CaGa2O4
MOLECULAR WEIGHT: 243.5216
SMILES: [O-2].[O-2].[O-2].[O-2].[Ca+2].[Ga+3].[Ga+3]
CAS RN: 94031-19-3
CAS Name: 2,4-bis[oxo(3,5,5-trimethylhexoxy)methyl]benzoic acid
OPENEYE Name: 2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
IUPAC Name: 2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
SYSTEMATIC NAME: 2,4-bis(3,5,5-trimethylhexoxycarbonyl)benzoic acid
MOLECULAR FORMULA: C27H42O6
MOLECULAR WEIGHT: 462.61878
SMILES: CC(CCOC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C
CAS RN: 13468-91-2
CAS Name: hydrogen carbonate; lead(2+)
OPENEYE Name: plumbous hydrogen carbonate
IUPAC Name: hydrogen carbonate; lead(2+)
SYSTEMATIC NAME: hydrogen carbonate; lead(2+)
MOLECULAR FORMULA: C2H2O6Pb
MOLECULAR WEIGHT: 329.23368
SMILES: C(=O)(O)[O-].C(=O)(O)[O-].[Pb+2]
CAS RN: 83929-39-9
CAS Name: 4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride
OPENEYE Name: 4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
IUPAC Name: 4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
SYSTEMATIC NAME: 4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]aniline dihydrochloride
MOLECULAR FORMULA: C20H21Cl4N3O2S
MOLECULAR WEIGHT: 509.27664
SMILES: C1[C@H](O[C@](O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)CSC4=CC=C(C=C4)N.Cl.Cl
CAS RN: 93882-32-7
CAS Name: 2-(1-piperazinyl)ethanamine; (E)-2-undecenoic acid
OPENEYE Name: 2-piperazin-1-ylethanamine; (E)-undec-2-enoic acid
IUPAC Name: 2-piperazin-1-ylethanamine; (E)-undec-2-enoic acid
SYSTEMATIC NAME: 2-piperazin-1-ylethanamine; (E)-undec-2-enoic acid
MOLECULAR FORMULA: C17H35N3O2
MOLECULAR WEIGHT: 313.4787
SMILES: CCCCCCCC/C=C/C(=O)O.C1CN(CCN1)CCN
CAS RN: 94135-09-8
CAS Name: 3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethylocta-2,6-dienyl]-1H-indole
OPENEYE Name: 3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethyl-octa-2,6-dienyl]-1H-indole
IUPAC Name: 3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethylocta-2,6-dienyl]-1H-indole
SYSTEMATIC NAME: 3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethyl-octa-2,6-dienyl]-1H-indole
MOLECULAR FORMULA: C26H28N2
MOLECULAR WEIGHT: 368.51392
SMILES: CC(=CCC/C(=C/C(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43)/C)C
CAS RN: 93857-57-9
CAS Name: disodium (6Z)-4-amino-3-[4-[4-[(2E)-2-(2-amino-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]azo-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
OPENEYE Name: disodium (6Z)-4-amino-3-[4-[4-[(2E)-2-(2-amino-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]azo-5-oxo-6-(phenylhydrazono)naphthalene-2,7-disulfonate
IUPAC Name: disodium (6Z)-4-amino-3-[[4-[4-[(2E)-2-(2-amino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium (6Z)-4-azanyl-3-[[4-[4-[(2E)-2-(2-azanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C36H28N8Na2O10S2
MOLECULAR WEIGHT: 842.76466
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=CC=C5)/C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N/N=C/6\C=CC(=O)C=C6N.[Na+].[Na+]
CAS RN: 75578-76-6
CAS Name: sodium 4-(4-nitrophenyl)benzoate
OPENEYE Name: sodium 4-(4-nitrophenyl)benzoate
IUPAC Name: sodium 4-(4-nitrophenyl)benzoate
SYSTEMATIC NAME: sodium 4-(4-nitrophenyl)benzoate
MOLECULAR FORMULA: C13H8NNaO4
MOLECULAR WEIGHT: 265.19669
SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]
CAS RN: 102616-54-6
CAS Name: N,N-bis(prop-2-enyl)cyclohexanamine; 2-propenamide; N-prop-2-enylcyclohexanamine; hydrochloride
OPENEYE Name: N-allylcyclohexanamine; N,N-diallylcyclohexanamine; prop-2-enamide; hydrochloride
IUPAC Name: N,N-bis(prop-2-enyl)cyclohexanamine; prop-2-enamide; N-prop-2-enylcyclohexanamine; hydrochloride
SYSTEMATIC NAME: N,N-bis(prop-2-enyl)cyclohexanamine; prop-2-enamide; N-prop-2-enylcyclohexanamine; hydrochloride
MOLECULAR FORMULA: C24H44ClN3O
MOLECULAR WEIGHT: 426.07866
SMILES: C=CCNC1CCCCC1.C=CCN(CC=C)C1CCCCC1.C=CC(=O)N.Cl
CAS RN: 84878-45-5
CAS Name: 4-[[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]methyl]-2,3-dimethylphenol
OPENEYE Name: 4-[[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]methyl]-2,3-dimethyl-phenol
IUPAC Name: 4-[[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]methyl]-2,3-dimethylphenol
SYSTEMATIC NAME: 4-[[2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethylamino]methyl]-2,3-dimethyl-phenol
MOLECULAR FORMULA: C17H33N5O
MOLECULAR WEIGHT: 323.47682
SMILES: CC1=C(C=CC(=C1C)O)CNCCNCCNCCNCCN
CAS RN: 99116-28-6
CAS Name: eicosanoate; iron(3+)
OPENEYE Name: ferric icosanoate
IUPAC Name: icosanoate; iron(3+)
SYSTEMATIC NAME: icosanoate; iron(3+)
MOLECULAR FORMULA: C60H117FeO6
MOLECULAR WEIGHT: 990.41238
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]
CAS RN: 84083-01-2
CAS Name: (Z)-13-docosenoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C26H53NO4
MOLECULAR WEIGHT: 443.70332
SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.C(CO)NCCO
CAS RN: 70069-81-7
CAS Name: 2-propenoic acid 6-methylheptyl ester; N-(2,4,4-trimethylpentan-2-yl)-2-propenamide
OPENEYE Name: 6-methylheptyl prop-2-enoate; N-(1,1,3,3-tetramethylbutyl)prop-2-enamide
IUPAC Name: 6-methylheptyl prop-2-enoate; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SYSTEMATIC NAME: 6-methylheptyl prop-2-enoate; N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
MOLECULAR FORMULA: C22H41NO3
MOLECULAR WEIGHT: 367.56584
SMILES: CC(C)CCCCCOC(=O)C=C.CC(C)(C)CC(C)(C)NC(=O)C=C
CAS RN: 171054-89-0
CAS Name: 4-ethylmorpholine; 4-(4-methylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-ethylmorpholine; 4-oxo-4-(p-tolyl)butanoic acid
IUPAC Name: 4-ethylmorpholine; 4-(4-methylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-ethylmorpholine; 4-(4-methylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: CCN1CCOCC1.CC1=CC=C(C=C1)C(=O)CCC(=O)O
CAS RN: 122970-62-1
CAS Name: bis[(E)-octadec-9-enoxy]-oxophosphonium; boric acid; 1-(2-hydroxypropylamino)-2-propanol
OPENEYE Name: bis[(E)-octadec-9-enoxy]-oxo-phosphonium; boric acid; 1-(2-hydroxypropylamino)propan-2-ol
IUPAC Name: bis[(E)-octadec-9-enoxy]-oxophosphanium; boric acid; 1-(2-hydroxypropylamino)propan-2-ol
SYSTEMATIC NAME: bis[(E)-octadec-9-enoxy]-oxidanylidene-phosphanium; boric acid; 1-(2-oxidanylpropylamino)propan-2-ol
MOLECULAR FORMULA: C42H88BNO8P+
MOLECULAR WEIGHT: 776.934781
SMILES: B(O)(O)O.CCCCCCCC/C=C/CCCCCCCCO[P+](=O)OCCCCCCCC/C=C/CCCCCCCC.CC(O)CNCC(O)C
CAS RN: 94166-67-3
CAS Name: triammonium 5-aminonaphthalene-1,3,6-trisulfonate
OPENEYE Name: triammonium 5-aminonaphthalene-1,3,6-trisulfonate
IUPAC Name: triazanium 5-aminonaphthalene-1,3,6-trisulfonate
SYSTEMATIC NAME: triazanium 5-azanylnaphthalene-1,3,6-trisulfonate
MOLECULAR FORMULA: C10H18N4O9S3
MOLECULAR WEIGHT: 434.46632
SMILES: C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+]
CAS RN: 94232-53-8
CAS Name: cerium(4+); decanoate
OPENEYE Name: cerium(4+); decanoate
IUPAC Name: cerium(4+); decanoate
SYSTEMATIC NAME: cerium(4+); decanoate
MOLECULAR FORMULA: C40H76CeO8
MOLECULAR WEIGHT: 825.14264
SMILES: CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Ce+4]
CAS RN: 93841-54-4
CAS Name: 9-methoxy-1,5-dimethyl-2-(phenylmethyl)-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
OPENEYE Name: 2-benzyl-9-methoxy-1,5-dimethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
IUPAC Name: 2-benzyl-9-methoxy-1,5-dimethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
SYSTEMATIC NAME: 9-methoxy-1,5-dimethyl-2-(phenylmethyl)-1,3,4,6-tetrahydropyrido[4,3-b]carbazole
MOLECULAR FORMULA: C25H26N2O
MOLECULAR WEIGHT: 370.48674
SMILES: CC1C2=C(CCN1CC3=CC=CC=C3)C(=C4C(=C2)C5=C(N4)C=CC(=C5)OC)C
CAS RN: 164002-60-2
CAS Name: 2-methyl-N-[4-methyl-5-(2-methylpropylideneamino)pentyl]-1-propanimine
OPENEYE Name: 2-methyl-N-[4-methyl-5-(2-methylpropylideneamino)pentyl]propan-1-imine
IUPAC Name: 2-methyl-N-[4-methyl-5-(2-methylpropylideneamino)pentyl]propan-1-imine
SYSTEMATIC NAME: 2-methyl-N-[4-methyl-5-(2-methylpropylideneamino)pentyl]propan-1-imine
MOLECULAR FORMULA: C14H28N2
MOLECULAR WEIGHT: 224.38552
SMILES: CC(C)C=NCCCC(C)CN=CC(C)C
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