CAS RN: 68378-19-8
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-propenoic acid; 2-propenoic acid 6-methylheptyl ester
OPENEYE Name: acrylic acid; 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methylheptyl prop-2-enoate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C23H43NO9
MOLECULAR WEIGHT: 477.58882
SMILES: CC(C)CCCCCOC(=O)C=C.C=CC(=O)O.C=CC(=O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 122391-92-8
CAS Name: 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester; 2-propenoic acid 6-methylheptyl ester
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate
IUPAC Name: 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C25H44O6
MOLECULAR WEIGHT: 440.61326
SMILES: CCCCC(CC)COC(=O)C=C.CC(C)CCCCCOC(=O)C=C.C=CC(=O)O
Structure:
CAS RN: 68378-18-7
CAS Name: 2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester; 2-propenoic acid 6-methylheptyl ester
OPENEYE Name: acrylic acid; 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate
IUPAC Name: 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: 2-ethylhexyl prop-2-enoate; 6-methylheptyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C25H44O6
MOLECULAR WEIGHT: 440.61326
SMILES: CCCCC(CC)COC(=O)C=C.CC(C)CCCCCOC(=O)C=C.C=CC(=O)O
Structure:
CAS RN: 68368-50-3
CAS Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2,2,4-trimethylpentane-1,3-diol
OPENEYE Name: adipic acid; isophthalic acid; 2,2,4-trimethylpentane-1,3-diol
IUPAC Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2,2,4-trimethylpentane-1,3-diol
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2,2,4-trimethylpentane-1,3-diol
MOLECULAR FORMULA: C22H34O10
MOLECULAR WEIGHT: 458.49936
SMILES: CC(C)C(C(C)(C)CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 68368-49-0
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonyl dihydrogen phosphate
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonyl dihydrogen phosphate
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; nonyl dihydrogen phosphate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; nonyl dihydrogen phosphate
MOLECULAR FORMULA: C15H36NO7P
MOLECULAR WEIGHT: 373.422601
SMILES: CCCCCCCCCOP(=O)(O)O.C(CO)N(CCO)CCO
Structure:
CAS RN: 68368-46-7
CAS Name: N,N-bis(2-hydroxyethyl)octadecanamide; urea
OPENEYE Name: N,N-bis(2-hydroxyethyl)octadecanamide; urea
IUPAC Name: N,N-bis(2-hydroxyethyl)octadecanamide; urea
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)octadecanamide; urea
MOLECULAR FORMULA: C23H49N3O4
MOLECULAR WEIGHT: 431.65286
SMILES: CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.C(=O)(N)N
Structure:
CAS RN: 68352-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29FO6
MOLECULAR WEIGHT: 432.481863
SMILES: C[C@]12CC3C4(O3)[C@H]([C@@H]1CC5[C@]2(OC(O5)(C)C)C(=O)CO)C[C@@H](C6=CC(=O)C=C[C@]46C)F
Structure:
CAS RN: 68348-77-6
CAS Name: zinc 4-(4-diazonioanilino)benzenediazonium tetrachloride
OPENEYE Name: zinc 4-(4-diazonioanilino)benzenediazonium tetrachloride
IUPAC Name: zinc 4-(4-diazonioanilino)benzenediazonium tetrachloride
SYSTEMATIC NAME: zinc 4-[(4-diazoniophenyl)amino]benzenediazonium tetrachloride
MOLECULAR FORMULA: C12H9Cl4N5Zn
MOLECULAR WEIGHT: 430.45436
SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)[N+]#N)[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
Structure:
CAS RN: 68345-30-2
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; boric acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: 2-[bis(2-hydroxyethyl)amino]ethanol; boric acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; boric acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; boric acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C10H29BN2O8
MOLECULAR WEIGHT: 316.15686
SMILES: B(O)(O)O.C(CO)NCCO.C(CO)N(CCO)CCO
Structure:
CAS RN: 68345-24-4
CAS Name: butane-1,4-diol; 3-(4-carboxyphenyl)-1,1,3-trimethyl-2H-indene-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol
OPENEYE Name: butane-1,4-diol; 3-(4-carboxyphenyl)-1,1,3-trimethyl-indane-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol
IUPAC Name: butane-1,4-diol; 3-(4-carboxyphenyl)-1,1,3-trimethyl-2H-indene-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol
SYSTEMATIC NAME: butane-1,4-diol; 3-(4-carboxyphenyl)-1,1,3-trimethyl-2H-indene-5-carboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol
MOLECULAR FORMULA: C32H46O8
MOLECULAR WEIGHT: 558.70284
SMILES: CC1(CC(C2=C1C=CC(=C2)C(=O)O)(C)C3=CC=C(C=C3)C(=O)O)C.C1CC(CCC1CO)CO.C(CCO)CO
Structure:
CAS RN: 68340-26-1
CAS Name: benzene-1,2,4-tricarboxylic acid; 3-(2-phenyl-1-imidazolyl)propanenitrile
OPENEYE Name: benzene-1,2,4-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile
IUPAC Name: benzene-1,2,4-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile
SYSTEMATIC NAME: benzene-1,2,4-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile
MOLECULAR FORMULA: C21H17N3O6
MOLECULAR WEIGHT: 407.37618
SMILES: C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 68334-91-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O4
MOLECULAR WEIGHT: 448.59374
SMILES: CCCCOC(=O)C=C.CC1=CC=CC=C1C=C.C=CC(=O)OC1C=CC2C1C3CC2C=C3
Structure:
CAS RN: 68334-89-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38N2O4
MOLECULAR WEIGHT: 478.62302
SMILES: CC1=CCC(CC1)C(C)(C)O.CC1=C(C=CC=C1N=C=O)N=C=O.C1C=CC2C1C3CC2CC3O
Structure:
CAS RN: 68334-86-1
CAS Name: 2-methyloxirane; oxirane; 2-propen-1-ol; 2-(prop-2-enoxymethyl)oxirane
OPENEYE Name: 2-(allyloxymethyl)oxirane; 2-methyloxirane; oxirane; prop-2-en-1-ol
IUPAC Name: 2-methyloxirane; oxirane; prop-2-en-1-ol; 2-(prop-2-enoxymethyl)oxirane
SYSTEMATIC NAME: 2-methyloxirane; oxirane; prop-2-en-1-ol; 2-(prop-2-enoxymethyl)oxirane
MOLECULAR FORMULA: C14H26O5
MOLECULAR WEIGHT: 274.35324
SMILES: CC1CO1.C=CCO.C=CCOCC1CO1.C1CO1
Structure:
CAS RN: 68334-83-8
CAS Name: 2-methyloxirane; oxirane; propane-1,2-diol; 2-(prop-2-enoxymethyl)oxirane
OPENEYE Name: 2-(allyloxymethyl)oxirane; 2-methyloxirane; oxirane; propane-1,2-diol
IUPAC Name: 2-methyloxirane; oxirane; propane-1,2-diol; 2-(prop-2-enoxymethyl)oxirane
SYSTEMATIC NAME: 2-methyloxirane; oxirane; propane-1,2-diol; 2-(prop-2-enoxymethyl)oxirane
MOLECULAR FORMULA: C14H28O6
MOLECULAR WEIGHT: 292.36852
SMILES: CC1CO1.CC(CO)O.C=CCOCC1CO1.C1CO1
Structure:
CAS RN: 68334-81-6
CAS Name: formaldehyde; 4-[(4-hydroxyphenyl)thio]phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
OPENEYE Name: formaldehyde; 4-(4-hydroxyphenyl)sulfanylphenol; 4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name: formaldehyde; 4-(4-hydroxyphenyl)sulfanylphenol; 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)sulfanylphenol; methanal; 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C27H34O4S
MOLECULAR WEIGHT: 454.62146
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC(=CC=C1O)SC2=CC=C(C=C2)O
Structure:
CAS RN: 68334-74-7
CAS Name: 2-(2-aminoethylamino)ethanol; 2-(chloromethyl)oxirane
OPENEYE Name: 2-(2-aminoethylamino)ethanol; 2-(chloromethyl)oxirane
IUPAC Name: 2-(2-aminoethylamino)ethanol; 2-(chloromethyl)oxirane
SYSTEMATIC NAME: 2-(2-azanylethylamino)ethanol; 2-(chloromethyl)oxirane
MOLECULAR FORMULA: C7H17ClN2O2
MOLECULAR WEIGHT: 196.67508
SMILES: C1C(O1)CCl.C(CNCCO)N
Structure:
CAS RN: 68334-70-3
CAS Name: N-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-[(1-oxodocosylamino)methyl]amino]methyl]docosanamide
OPENEYE Name: N-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-[(docosanoylamino)methyl]amino]methyl]docosanamide
IUPAC Name: N-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-[(docosanoylamino)methyl]amino]methyl]docosanamide
SYSTEMATIC NAME: N-[[[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-[(docosanoylamino)methyl]amino]methyl]docosanamide
MOLECULAR FORMULA: C57H112N8O6
MOLECULAR WEIGHT: 1005.54918
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NCN(CNC(=O)CCCCCCCCCCCCCCCCCCCCC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC
Structure:
CAS RN: 68334-60-1
CAS Name: 3-[9-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]-1-propanamine; 2-(butoxymethyl)oxirane
OPENEYE Name: 3-[9-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine; 2-(butoxymethyl)oxirane
IUPAC Name: 3-[9-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine; 2-(butoxymethyl)oxirane
SYSTEMATIC NAME: 3-[9-(3-azanylpropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine; 2-(butoxymethyl)oxirane
MOLECULAR FORMULA: C20H40N2O6
MOLECULAR WEIGHT: 404.5414
SMILES: CCCCOCC1CO1.C1C2(COC(O1)CCCN)COC(OC2)CCCN
Structure:
CAS RN: 68334-44-1
CAS Name: 1-ethenyl-2-methylbenzene; 2-methyl-2-propenoic acid; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: 2-ethylhexyl prop-2-enoate; 2-methylprop-2-enoic acid; 1-methyl-2-vinyl-benzene
IUPAC Name: 1-ethenyl-2-methylbenzene; 2-ethylhexyl prop-2-enoate; 2-methylprop-2-enoic acid
SYSTEMATIC NAME: 1-ethenyl-2-methyl-benzene; 2-ethylhexyl prop-2-enoate; 2-methylprop-2-enoic acid
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: CCCCC(CC)COC(=O)C=C.CC1=CC=CC=C1C=C.CC(=C)C(=O)O
Structure:
CAS RN: 68332-78-5
CAS Name: 2,3-didodecylbenzenesulfonic acid; 2-methyloxirane; oxirane
OPENEYE Name: 2,3-didodecylbenzenesulfonic acid; 2-methyloxirane; oxirane
IUPAC Name: 2,3-didodecylbenzenesulfonic acid; 2-methyloxirane; oxirane
SYSTEMATIC NAME: 2,3-didodecylbenzenesulfonic acid; 2-methyloxirane; oxirane
MOLECULAR FORMULA: C35H64O5S
MOLECULAR WEIGHT: 596.94466
SMILES: CCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)CCCCCCCCCCCC.CC1CO1.C1CO1
Structure:
CAS RN: 68331-73-7
CAS Name: (2R,3S,4S,5R)-2-amino-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3S,4S,5R)-2-amino-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4S,5R)-2-amino-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4S,5R)-2-azanyl-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C5H11NO4
MOLECULAR WEIGHT: 149.14514
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](O1)N)O)O)O
Structure:
CAS RN: 68318-43-4
CAS Name: chloroethene; 2-propenoic acid 3-hydroxypropyl ester
OPENEYE Name: chloroethylene; 3-hydroxypropyl prop-2-enoate
IUPAC Name: chloroethene; 3-hydroxypropyl prop-2-enoate
SYSTEMATIC NAME: chloranylethene; 3-oxidanylpropyl prop-2-enoate
MOLECULAR FORMULA: C8H13ClO3
MOLECULAR WEIGHT: 192.64002
SMILES: C=CC(=O)OCCCO.C=CCl
Structure:
CAS RN: 68318-23-0
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester; (Z)-4-ethoxy-4-oxo-2-butenoic acid
OPENEYE Name: dibutyl (Z)-but-2-enedioate; (Z)-4-ethoxy-4-oxo-but-2-enoic acid; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate; (Z)-4-ethoxy-4-oxobut-2-enoic acid
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate; (Z)-4-ethoxy-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C22H34O10
MOLECULAR WEIGHT: 458.49936
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CCOC(=O)/C=C\C(=O)O.CC(=O)OC=C
Structure:
CAS RN: 68317-50-0
CAS Name: octadecanoic acid [(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(1-oxooctadecoxy)hexyl] ester
OPENEYE Name: [(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-octadecanoyloxy-hexyl] octadecanoate
IUPAC Name: [(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-octadecanoyloxyhexyl] octadecanoate
SYSTEMATIC NAME: [(2S,3S,4R,5R)-2-octadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)hexyl] octadecanoate
MOLECULAR FORMULA: C42H82O8
MOLECULAR WEIGHT: 715.09568
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 68311-06-8
CAS Name: octadecanoic acid; (Z)-9-octadecenoic acid
OPENEYE Name: (Z)-octadec-9-enoic acid; stearic acid
IUPAC Name: octadecanoic acid; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: octadecanoic acid; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C36H70O4
MOLECULAR WEIGHT: 566.9386
SMILES: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O
Structure:
CAS RN: 68310-95-2
CAS Name: acetic acid ethenyl ester; (Z)-2-(2-oxo-1-imidazolidinyl)-2-butenedioic acid O1-ethyl ester O4-(2-hydroxypropyl) ester; 2-propenoic acid butyl ester
OPENEYE Name: butyl prop-2-enoate; O1-ethyl O4-(2-hydroxypropyl) (Z)-2-(2-oxoimidazolidin-1-yl)but-2-enedioate; vinyl acetate
IUPAC Name: butyl prop-2-enoate; ethenyl acetate; 1-O-ethyl 4-O-(2-hydroxypropyl) (Z)-2-(2-oxoimidazolidin-1-yl)but-2-enedioate
SYSTEMATIC NAME: butyl prop-2-enoate; ethenyl ethanoate; O1-ethyl O4-(2-oxidanylpropyl) (Z)-2-(2-oxidanylideneimidazolidin-1-yl)but-2-enedioate
MOLECULAR FORMULA: C23H36N2O10
MOLECULAR WEIGHT: 500.53934
SMILES: CCCCOC(=O)C=C.CCOC(=O)/C(=C/C(=O)OCC(C)O)/N1CCNC1=O.CC(=O)OC=C
Structure:
CAS RN: 68310-83-8
CAS Name: ammonium copper triformate
OPENEYE Name: ammonium copper triformate
IUPAC Name: azanium copper triformate
SYSTEMATIC NAME: azanium copper trimethanoate
MOLECULAR FORMULA: C3H7CuNO6
MOLECULAR WEIGHT: 216.63678
SMILES: C(=O)[O-].C(=O)[O-].C(=O)[O-].[NH4+].[Cu+2]
Structure:
CAS RN: 71745-81-8
CAS Name: ammonium copper triformate
OPENEYE Name: ammonium copper triformate
IUPAC Name: azanium copper triformate
SYSTEMATIC NAME: azanium copper trimethanoate
MOLECULAR FORMULA: C3H7CuNO6
MOLECULAR WEIGHT: 216.63678
SMILES: C(=O)[O-].C(=O)[O-].C(=O)[O-].[NH4+].[Cu+2]
Structure:
CAS RN: 68310-79-2
CAS Name: morpholine; 2-propenoic acid; styrene
OPENEYE Name: acrylic acid; morpholine; styrene
IUPAC Name: morpholine; prop-2-enoic acid; styrene
SYSTEMATIC NAME: ethenylbenzene; morpholine; prop-2-enoic acid
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: C=CC1=CC=CC=C1.C=CC(=O)O.C1COCCN1
Structure:
CAS RN: 68310-78-1
CAS Name: 2-amino-2-methyl-1-propanol; 2-propenoic acid; styrene
OPENEYE Name: acrylic acid; 2-amino-2-methyl-propan-1-ol; styrene
IUPAC Name: 2-amino-2-methylpropan-1-ol; prop-2-enoic acid; styrene
SYSTEMATIC NAME: 2-azanyl-2-methyl-propan-1-ol; ethenylbenzene; prop-2-enoic acid
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CC(C)(CO)N.C=CC1=CC=CC=C1.C=CC(=O)O
Structure:
CAS RN: 332080-64-5
CAS Name: N-[3-[3,5-bis[2-methyl-3-[[oxo-(2-oxo-1-azepanyl)methyl]amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxo-1-azepanecarboxamide
OPENEYE Name: N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methyl-phenyl]-2-oxo-azepane-1-carboxamide
IUPAC Name: N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxoazepane-1-carboxamide
SYSTEMATIC NAME: N-[3-[3,5-bis[2-methyl-3-[(2-oxidanylideneazepan-1-yl)carbonylamino]phenyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]-2-methyl-phenyl]-2-oxidanylidene-azepane-1-carboxamide
MOLECULAR FORMULA: C45H51N9O9
MOLECULAR WEIGHT: 861.94134
SMILES: CC1=C(C=CC=C1NC(=O)N2CCCCCC2=O)N3C(=O)N(C(=O)N(C3=O)C4=C(C(=CC=C4)NC(=O)N5CCCCCC5=O)C)C6=C(C(=CC=C6)NC(=O)N7CCCCCC7=O)C
Structure:
CAS RN: 68310-49-6
CAS Name: N-[3-[3,5-bis[2-methyl-3-[[oxo-(2-oxo-1-azepanyl)methyl]amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxo-1-azepanecarboxamide
OPENEYE Name: N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methyl-phenyl]-2-oxo-azepane-1-carboxamide
IUPAC Name: N-[3-[3,5-bis[2-methyl-3-[(2-oxoazepane-1-carbonyl)amino]phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-2-oxoazepane-1-carboxamide
SYSTEMATIC NAME: N-[3-[3,5-bis[2-methyl-3-[(2-oxidanylideneazepan-1-yl)carbonylamino]phenyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]-2-methyl-phenyl]-2-oxidanylidene-azepane-1-carboxamide
MOLECULAR FORMULA: C45H51N9O9
MOLECULAR WEIGHT: 861.94134
SMILES: CC1=C(C=CC=C1NC(=O)N2CCCCCC2=O)N3C(=O)N(C(=O)N(C3=O)C4=C(C(=CC=C4)NC(=O)N5CCCCCC5=O)C)C6=C(C(=CC=C6)NC(=O)N7CCCCCC7=O)C
Structure:
CAS RN: 68310-28-1
CAS Name: ammonium; ethenylbenzene; 2-propenoic acid methyl ester
OPENEYE Name: ammonium; methyl prop-2-enoate; vinylbenzene
IUPAC Name: azanium; ethenylbenzene; methyl prop-2-enoate
SYSTEMATIC NAME: azanium; ethenylbenzene; methyl prop-2-enoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: COC(=O)C=C.C=[C-]C1=CC=CC=C1.[NH4+]
Structure:
CAS RN: 68310-05-4
CAS Name: N-methylethanamine; 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-quinolinyl]-1,3-dioxo-5-indenecarboxylic acid
OPENEYE Name: N-methylethanamine; 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-quinolyl]-1,3-dioxo-indane-5-carboxylic acid
IUPAC Name: N-methylethanamine; 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid
SYSTEMATIC NAME: N-methylethanamine; 2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-bis(oxidanylidene)indene-5-carboxylic acid
MOLECULAR FORMULA: C33H34N4O7S2
MOLECULAR WEIGHT: 662.77566
SMILES: CCNC.CCNC.CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O)S(=O)(=O)O
Structure:
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