CAS RN: 25418-95-5
CAS Name: decanedioate; praseodymium(3+)
OPENEYE Name: decanedioate; praseodymium(3+)
IUPAC Name: decanedioate; praseodymium(3+)
SYSTEMATIC NAME: decanedioate; praseodymium(3+)
MOLECULAR FORMULA: C10H16O4Pr+
MOLECULAR WEIGHT: 341.13929
SMILES: C(CCCCC(=O)[O-])CCCC(=O)[O-].[Pr+3]
Structure:
CAS RN: 25418-94-4
CAS Name: cerium(3+); decanedioate
OPENEYE Name: cerium(3+); decanedioate
IUPAC Name: cerium(3+); decanedioate
SYSTEMATIC NAME: cerium(3+); decanedioate
MOLECULAR FORMULA: C10H16CeO4+
MOLECULAR WEIGHT: 340.34764
SMILES: C(CCCCC(=O)[O-])CCCC(=O)[O-].[Ce+3]
Structure:
CAS RN: 25418-93-3
CAS Name: decanedioate; lanthanum(3+)
OPENEYE Name: decanedioate; lanthanum(3+)
IUPAC Name: decanedioate; lanthanum(3+)
SYSTEMATIC NAME: decanedioate; lanthanum(3+)
MOLECULAR FORMULA: C10H16LaO4+
MOLECULAR WEIGHT: 339.13714
SMILES: C(CCCCC(=O)[O-])CCCC(=O)[O-].[La+3]
Structure:
CAS RN: 24902-11-2
CAS Name: 12-quinolino[8,7-h]quinolinamine
OPENEYE Name: quinolino[8,7-h]quinolin-12-amine
IUPAC Name: quinolino[8,7-h]quinolin-12-amine
SYSTEMATIC NAME: quinolino[8,7-h]quinolin-12-amine
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC2=C(C3=CC(=C4C=CC=NC4=C3C=C2)N)N=C1
Structure:
CAS RN: 24742-16-3
CAS Name: titanium(4+) benzoate
OPENEYE Name: titanium(4+) benzoate
IUPAC Name: titanium(4+) benzoate
SYSTEMATIC NAME: titanium(4+) benzoate
MOLECULAR FORMULA: C7H5O2Ti+3
MOLECULAR WEIGHT: 168.9804
SMILES: C1=CC=C(C=C1)C(=O)[O-].[Ti+4]
Structure:
CAS RN: 22922-82-3
CAS Name: 1-propanolate; titanium(3+)
OPENEYE Name: propan-1-olate; titanium(3+)
IUPAC Name: propan-1-olate; titanium(3+)
SYSTEMATIC NAME: propan-1-olate; titanium(3+)
MOLECULAR FORMULA: C3H7OTi+2
MOLECULAR WEIGHT: 106.95408
SMILES: CCC[O-].[Ti+3]
Structure:
CAS RN: 22889-65-2
CAS Name: sodium N-octylcarbamothioate carbamothioate
OPENEYE Name: sodium N-octylcarbamothioate carbamothioate
IUPAC Name: sodium N-octylcarbamothioate carbamothioate
SYSTEMATIC NAME: sodium N-octylcarbamothioate carbamothioate
MOLECULAR FORMULA: C10H20N2NaO2S2-
MOLECULAR WEIGHT: 287.39777
SMILES: CCCCCCCCNC(=S)[O-].C(=S)(N)[O-].[Na+]
Structure:
CAS RN: 22719-15-9
CAS Name: 2,3-dihydroxybutanedioate; ethane-1,2-diamine
OPENEYE Name: 2,3-dihydroxybutanedioate; ethane-1,2-diamine
IUPAC Name: 2,3-dihydroxybutanedioate; ethane-1,2-diamine
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioate; ethane-1,2-diamine
MOLECULAR FORMULA: C6H12N2O6-2
MOLECULAR WEIGHT: 208.16928
SMILES: C(CN)N.C(C(C(=O)[O-])O)(C(=O)[O-])O
Structure:
CAS RN: 22378-84-3
CAS Name: 2-propanolate; titanium(3+)
OPENEYE Name: propan-2-olate; titanium(3+)
IUPAC Name: propan-2-olate; titanium(3+)
SYSTEMATIC NAME: propan-2-olate; titanium(3+)
MOLECULAR FORMULA: C3H7OTi+2
MOLECULAR WEIGHT: 106.95408
SMILES: CC(C)[O-].[Ti+3]
Structure:
CAS RN: 21830-31-9
CAS Name: tributyl-[(3-chlorophenyl)methyl]ammonium bromide
OPENEYE Name: tributyl-[(3-chlorophenyl)methyl]ammonium bromide
IUPAC Name: tributyl-[(3-chlorophenyl)methyl]azanium bromide
SYSTEMATIC NAME: tributyl-[(3-chlorophenyl)methyl]azanium bromide
MOLECULAR FORMULA: C19H33BrClN
MOLECULAR WEIGHT: 390.82902
SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC(=CC=C1)Cl.[Br-]
Structure:
CAS RN: 21297-22-3
CAS Name: 5,12-dimethylbenzo[a]anthracene
OPENEYE Name: 5,12-dimethylbenzo[a]anthracene
IUPAC Name: 5,12-dimethylbenzo[a]anthracene
SYSTEMATIC NAME: 5,12-dimethylbenzo[a]anthracene
MOLECULAR FORMULA: C20H16
MOLECULAR WEIGHT: 256.34104
SMILES: CC1=CC2=CC3=CC=CC=C3C(=C2C4=CC=CC=C14)C
Structure:
CAS RN: 19726-75-1
CAS Name: ethanolate; titanium(3+)
OPENEYE Name: ethanolate; titanium(3+)
IUPAC Name: ethanolate; titanium(3+)
SYSTEMATIC NAME: ethanolate; titanium(3+)
MOLECULAR FORMULA: C2H5OTi+2
MOLECULAR WEIGHT: 92.9275
SMILES: CC[O-].[Ti+3]
Structure:
CAS RN: 19600-96-5
CAS Name: 2-chloroethanolate; titanium(4+)
OPENEYE Name: 2-chloroethanolate; titanium(4+)
IUPAC Name: 2-chloroethanolate; titanium(4+)
SYSTEMATIC NAME: 2-chloranylethanolate; titanium(4+)
MOLECULAR FORMULA: C2H4ClOTi+3
MOLECULAR WEIGHT: 127.37256
SMILES: C(CCl)[O-].[Ti+4]
Structure:
CAS RN: 19411-95-1
CAS Name: praseodymium(3+) benzoate
OPENEYE Name: praseodymium(3+) benzoate
IUPAC Name: praseodymium(3+) benzoate
SYSTEMATIC NAME: praseodymium(3+) benzoate
MOLECULAR FORMULA: C7H5O2Pr+2
MOLECULAR WEIGHT: 262.02105
SMILES: C1=CC=C(C=C1)C(=O)[O-].[Pr+3]
Structure:
CAS RN: 19330-29-1
CAS Name: cobalt(2+); ethanolate
OPENEYE Name: cobaltous ethanolate
IUPAC Name: cobalt(2+); ethanolate
SYSTEMATIC NAME: cobalt(2+); ethanolate
MOLECULAR FORMULA: C2H5CoO+
MOLECULAR WEIGHT: 103.9937
SMILES: CC[O-].[Co+2]
Structure:
CAS RN: 19191-80-1
CAS Name: 2,4-diamino-5-methyl-6-(phenylmethyl)-8H-pyrido[2,3-d]pyrimidine-7-thione
OPENEYE Name: 2,4-diamino-6-benzyl-5-methyl-8H-pyrido[2,3-d]pyrimidine-7-thione
IUPAC Name: 2,4-diamino-6-benzyl-5-methyl-8H-pyrido[2,3-d]pyrimidine-7-thione
SYSTEMATIC NAME: 2,4-bis(azanyl)-5-methyl-6-(phenylmethyl)-8H-pyrido[2,3-d]pyrimidine-7-thione
MOLECULAR FORMULA: C15H15N5S
MOLECULAR WEIGHT: 297.3781
SMILES: CC1=C(C(=S)NC2=C1C(=NC(=N2)N)N)CC3=CC=CC=C3
Structure:
CAS RN: 7148-57-4
CAS Name: 1-[3-[[(3S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propyl]pyrrolidine chloride
OPENEYE Name: 1-[3-[[(3S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propyl]pyrrolidine chloride
IUPAC Name: 1-[3-[[(3S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propyl]pyrrolidine chloride
SYSTEMATIC NAME: 1-[3-[[(3S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]propyl]pyrrolidine chloride
MOLECULAR FORMULA: C28H47ClNO-
MOLECULAR WEIGHT: 449.13188
SMILES: CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCCCN5CCCC5)C)C.[Cl-]
Structure:
CAS RN: 112614-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25NO4
MOLECULAR WEIGHT: 343.4168
SMILES: CO[C@H]1CC=C2CCN3C2(C1)C4=CC5=C(C(=C4CCC3)OC)OCO5
Structure:
CAS RN: 178823-49-9
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2R)-2-aminopropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-meth
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2R)-2-aminopropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methy
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2R)-2-azanylpropanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-
MOLECULAR FORMULA: C87H142N24O21
MOLECULAR WEIGHT: 1860.20658
SMILES: CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](C(C)C)NC(
Structure:
CAS RN: 76862-65-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H80N20O18S4
MOLECULAR WEIGHT: 1437.6069
SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCN=C(N)N)CC3=CN=CN3)CC4=CC(=CC=C4)O)CO)C(=O)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 87105-40-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H80N20O18S4
MOLECULAR WEIGHT: 1437.6069
SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCN=C(N)N)CC3=CN=CN3)CC4=CC(=CC=C4)O)CO)C(=O)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 13109-70-1
CAS Name: butanoic acid [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [(1S,2R,4R)-1,7,7-trimethylnorbornan-2-yl] butanoate
IUPAC Name: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] butanoate
SYSTEMATIC NAME: [(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] butanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CCCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C2(C)C)C
Structure:
CAS RN: 3328-84-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33NO5
MOLECULAR WEIGHT: 391.50112
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H](C([C@H]31)[C@]5(CC[C@H]6C[C@@H]4[C@@H]5C(=O)O6)O)O)OC)C
Structure:
CAS RN: 220810-26-4
CAS Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-[1-(phenylmethyl)-4-imidazolyl]propan-2
OPENEYE Name: acetic acid; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-[(1-benzylimidazol-4-yl)methyl]-2-[[(1S)-1-[[(1S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)m
IUPAC Name: acetic acid; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-3-(1-benzylimidazol-4-yl)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amin
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-[1-(phenylmethyl
MOLECULAR FORMULA: C68H90N18O14
MOLECULAR WEIGHT: 1383.5544
SMILES: CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O
Structure:
CAS RN: 56377-79-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H43N13O12S6
MOLECULAR WEIGHT: 1222.35702
SMILES: C/C=C\1/C2=NC(=CS2)C(=O)N[C@@H]3CC(C(=O)OCC4=C5C(=C(C(=O)SC[C@@H](C6=NC(=CS6)C7=N/C(=C\8/NC(=CS8)C(=O)NC(=C)C(=O)N)/C(=O)C=C7C9=NC(=CS9)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)NC(=O)C1=CSC3=N1)NC5=CC=C4)C)O
Structure:
CAS RN: 145672-81-7
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-(4-chlorophenyl)-1-oxopropyl]amino]-1-oxo-3-(3-pyridinyl)propyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopr
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(2-naphthyl)propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(3-pyridyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-ureido
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(ca
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-yl-propanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5
MOLECULAR FORMULA: C72H96ClN17O16
MOLECULAR WEIGHT: 1491.08994
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NC(C)C(=O)N)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(=O)C.CC(=O)O
Structure:
CAS RN: 86220-42-0
CAS Name: acetic acid; N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxop
OPENEYE Name: acetic acid; N-[2-[[2-[[2-[[2-[[2-[[1-[[1-[2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl
IUPAC Name: acetic acid; N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-y
SYSTEMATIC NAME: N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]amino]
MOLECULAR FORMULA: C68H89N17O16
MOLECULAR WEIGHT: 1400.53856
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O.O
Structure:
CAS RN: 72252-59-6
CAS Name: tetrasodium 2-[(2Z)-2-[6-anilino-1-oxo-5-[(2Z)-2-(6-oxo-3-sulfamoyl-1-cyclohexa-2,4-dienylidene)hydrazinyl]-3-sulfonato-2-naphthalenylidene]hydrazinyl]-5-[3-carboxylato-4-[1-(3-carboxylato-4-hydroxyanilino)-1,3-dioxobutan-2-yl]azophenyl]benzoate
OPENEYE Name: tetrasodium 2-[(2Z)-2-[6-anilino-1-oxo-5-[(2Z)-2-(6-oxo-3-sulfamoyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-sulfonato-2-naphthylidene]hydrazino]-5-[3-carboxylato-4-[1-[(3-carboxylato-4-hydroxy-phenyl)carbamoyl]-2-oxo-propyl]azo-phenyl]benzoate
IUPAC Name: tetrasodium 2-[(2Z)-2-[6-anilino-1-oxo-5-[(2Z)-2-(6-oxo-3-sulfamoylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-5-[3-carboxylato-4-[[1-(3-carboxylato-4-hydroxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzoate
SYSTEMATIC NAME: tetrasodium 5-[3-carboxylato-4-[[1-[(3-carboxylato-4-oxidanyl-phenyl)amino]-1,3-bis(oxidanylidene)butan-2-yl]diazenyl]phenyl]-2-[(2Z)-2-[1-oxidanylidene-5-[(2Z)-2-(6-oxidanylidene-3-sulfamoyl-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-6-phenylazanyl-3-sulfo
MOLECULAR FORMULA: C47H31N9Na4O16S2
MOLECULAR WEIGHT: 1133.88882
SMILES: CC(=O)C(C(=O)NC1=CC(=C(C=C1)O)C(=O)[O-])N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5N/N=C\6/C=C(C=CC6=O)S(=O)(=O)N)NC7=CC=CC=C7)S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 93858-30-1
CAS Name: (3E)-3-[[4-chloro-6-[4-[[4-chloro-6-[(Z)-[8-[(1,5-disulfo-2-naphthalenyl)hydrazo]-1-oxo-3,6-disulfo-2-naphthalenylidene]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]imino]-5-[(1,5-disulfo-2-naphthalenyl)hydrazo]-4-oxonaphthalene-2,7-disulfo
OPENEYE Name: (3E)-3-[[4-chloro-6-[4-[[4-chloro-6-[(Z)-[8-[2-(1,5-disulfo-2-naphthyl)hydrazino]-1-oxo-3,6-disulfo-2-naphthylidene]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]imino]-5-[2-(1,5-disulfo-2-naphthyl)hydrazino]-4-oxo-naphthalene-2,7-disulfonic
IUPAC Name: (3E)-3-[[4-chloro-6-[4-[[4-chloro-6-[(Z)-[8-[2-(1,5-disulfonaphthalen-2-yl)hydrazinyl]-1-oxo-3,6-disulfonaphthalen-2-ylidene]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]imino]-5-[2-(1,5-disulfonaphthalen-2-yl)hydrazinyl]-4-oxonaphthalene-2
SYSTEMATIC NAME: (3E)-3-[[4-chloranyl-6-[[4-[[4-chloranyl-6-[(Z)-[8-[2-(1,5-disulfonaphthalen-2-yl)hydrazinyl]-1-oxidanylidene-3,6-disulfo-naphthalen-2-ylidene]amino]-1,3,5-triazin-2-yl]amino]phenyl]amino]-1,3,5-triazin-2-yl]imino]-5-[2-(1,5-disulfonaphthalen-2-yl)hydrazi
MOLECULAR FORMULA: C52H34Cl2N14O26S8
MOLECULAR WEIGHT: 1598.33056
SMILES: C1=CC2=C(C=CC(=C2S(=O)(=O)O)NNC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(/C(=N\C5=NC(=NC(=N5)Cl)NC6=CC=C(C=C6)NC7=NC(=NC(=N7)/N=C\8/C(=CC9=CC(=CC(=C9C8=O)NNC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Cl)/C4=O)S(=O)(=O)O)C(=C1)S(=O)(=O)O
Structure:
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