CAS RN: 36870-02-7
CAS Name: (Z)-4-oxo-2-penten-2-olate; propane-1,3-diolate; titanium(4+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; propane-1,3-diolate; titanium(4+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; propane-1,3-diolate; titanium(4+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; propane-1,3-diolate; titanium(4+)
MOLECULAR FORMULA: C13H20O6Ti
MOLECULAR WEIGHT: 320.1613
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C(C[O-])C[O-].[Ti+4]
Structure:
CAS RN: 36888-99-0
CAS Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-1-isoindolylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[3-(2,4,6-trioxohexahydropyrimidin-5-ylidene)isoindolin-1-ylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H9N5O6
MOLECULAR WEIGHT: 367.27256
SMILES: C1=CC=C2C(=C1)C(=C3C(=O)NC(=O)NC3=O)NC2=C4C(=O)NC(=O)NC4=O
Structure:
CAS RN: 68859-68-7
CAS Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-1-isoindolylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[3-(2,4,6-trioxohexahydropyrimidin-5-ylidene)isoindolin-1-ylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H9N5O6
MOLECULAR WEIGHT: 367.27256
SMILES: C1=CC=C2C(=C1)C(=C3C(=O)NC(=O)NC3=O)NC2=C4C(=O)NC(=O)NC4=O
Structure:
CAS RN: 72779-83-0
CAS Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-1-isoindolylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[3-(2,4,6-trioxohexahydropyrimidin-5-ylidene)isoindolin-1-ylidene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[3-(2,4,6-trioxo-1,3-diazinan-5-ylidene)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[3-[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C16H9N5O6
MOLECULAR WEIGHT: 367.27256
SMILES: C1=CC=C2C(=C1)C(=C3C(=O)NC(=O)NC3=O)NC2=C4C(=O)NC(=O)NC4=O
Structure:
CAS RN: 103614-76-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H86O19
MOLECULAR WEIGHT: 1111.31344
SMILES: C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)O[C@@H]9[C@H]([C@H]3[C@H](C[C@@H]4[C@H](O3)C[C@@]3(O4)C[C@H]4[C@@H](O3)[C@H](C[C@]3(O4)C[C@@H]([C@H]4[C@@H](O3)C[C@H](O4)[C@H](C[
Structure:
CAS RN: 88373-08-4
CAS Name: (E)-6-(9-acridinylamino)hexoxy-(2-diazonio-1-cyclopenta-2,4-dienylidene)methanolate
OPENEYE Name: (E)-6-(acridin-9-ylamino)hexoxy-(2-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
IUPAC Name: (E)-6-(acridin-9-ylamino)hexoxy-(2-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
SYSTEMATIC NAME: (E)-6-(acridin-9-ylamino)hexoxy-(2-diazoniocyclopenta-2,4-dien-1-ylidene)methanolate
MOLECULAR FORMULA: C25H24N4O2
MOLECULAR WEIGHT: 412.48366
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCO/C(=C/4\C=CC=C4[N+]#N)/[O-]
Structure:
CAS RN: 32426-34-9
CAS Name: 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 8-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
Structure:
CAS RN: 27647-84-3
CAS Name: zinc; 4-[10,15-bis(4-carboxylatophenyl)-20-[4-(dioxidomethylidene)-1-cyclohexa-2,5-dienylidene]-5-porphyrin-24-idyl]benzoate; hydron
OPENEYE Name: zinc; 4-[10,15-bis(4-carboxylatophenyl)-20-[4-(dioxidomethylene)cyclohexa-2,5-dien-1-ylidene]porphyrin-24-id-5-yl]benzoate; hydron
IUPAC Name: zinc; 4-[10,15-bis(4-carboxylatophenyl)-20-[4-(dioxidomethylidene)cyclohexa-2,5-dien-1-ylidene]porphyrin-24-id-5-yl]benzoate; hydron
SYSTEMATIC NAME: zinc; 4-[10-[4-[bis(oxidanidyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-15,20-bis(4-carboxylatophenyl)porphyrin-23-id-5-yl]benzoate; hydron
MOLECULAR FORMULA: C48H28N4O8Zn
MOLECULAR WEIGHT: 854.16692
SMILES: [H+].[H+].[H+].[H+].C1=CC(=C([O-])[O-])C=CC1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)C(=O)[O-])C=C5)C8=CC=C(C=C8)C(=O)[O-])C=C4)C9=CC=C(C=C9)C(=O)[O-])C=C3.[Zn+2]
Structure:
CAS RN: 15203-44-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H30CuN4Na2O5
MOLECULAR WEIGHT: 684.15134
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)[O-])C)C(=O)[O-])[O-])C)C.[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 18972-02-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H30CuN4Na2O5
MOLECULAR WEIGHT: 684.15134
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)[O-])C)C(=O)[O-])[O-])C)C.[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 21707-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H30CuN4Na2O5
MOLECULAR WEIGHT: 684.15134
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)[O-])C)C(=O)[O-])[O-])C)C.[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 26061-35-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H30CuN4Na2O5
MOLECULAR WEIGHT: 684.15134
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)[O-])C)C(=O)[O-])[O-])C)C.[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 27679-89-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H30CuN4Na2O5
MOLECULAR WEIGHT: 684.15134
SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)[O-])C)C(=O)[O-])[O-])C)C.[Na+].[Na+].[Cu+2]
Structure:
CAS RN: 63600-79-3
CAS Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamido-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-4-ca
OPENEYE Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoy
IUPAC Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amin
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-
MOLECULAR FORMULA: C48H65N9O17
MOLECULAR WEIGHT: 1040.0798
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 85932-85-0
CAS Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamido-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-4-ca
OPENEYE Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoy
IUPAC Name: (2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amin
SYSTEMATIC NAME: (2S)-5-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-benzamidopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-
MOLECULAR FORMULA: C48H65N9O17
MOLECULAR WEIGHT: 1040.0798
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)C2=CC=CC=C2
Structure:
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