Sunday, November 27, 2011

http://ChemLookup.com Compounds




CAS RN: 38236-38-3
CAS Name: (Z,5S)-1-diazonio-5-(1,3-dioxo-2-isoindolyl)-6-(4-nitrophenoxy)-6-oxo-1-hexen-2-olate
OPENEYE Name: (Z,5S)-1-diazonio-5-(1,3-dioxoisoindolin-2-yl)-6-(4-nitrophenoxy)-6-oxo-hex-1-en-2-olate
IUPAC Name: (Z,5S)-1-diazonio-5-(1,3-dioxoisoindol-2-yl)-6-(4-nitrophenoxy)-6-oxohex-1-en-2-olate
SYSTEMATIC NAME: (Z,5S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-diazonio-6-(4-nitrophenoxy)-6-oxidanylidene-hex-1-en-2-olate
MOLECULAR FORMULA: C20H14N4O7
MOLECULAR WEIGHT: 422.34776
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CC/C(=C/[N+]#N)/[O-])C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:

CAS RN: 38236-36-1
CAS Name: (Z,5S)-1-diazonio-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)-1-hexen-2-olate
OPENEYE Name: (Z,5S)-5-(benzyloxycarbonylamino)-1-diazonio-6-oxo-6-phenacyloxy-hex-1-en-2-olate
IUPAC Name: (Z,5S)-1-diazonio-6-oxo-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate
SYSTEMATIC NAME: (Z,5S)-1-diazonio-6-oxidanylidene-6-phenacyloxy-5-(phenylmethoxycarbonylamino)hex-1-en-2-olate
MOLECULAR FORMULA: C22H21N3O6
MOLECULAR WEIGHT: 423.41864
SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CC/C(=C/[N+]#N)/[O-])C(=O)OCC(=O)C2=CC=CC=C2
Structure:

CAS RN: 37599-14-7
CAS Name: 1-[2-(diethylamino)ethylamino]-4-hydroxy-10-oxo-9-thioxanthenone
OPENEYE Name: 1-[2-(diethylamino)ethylamino]-4-hydroxy-10-oxo-thioxanthen-9-one
IUPAC Name: 1-[2-(diethylamino)ethylamino]-4-hydroxy-10-oxothioxanthen-9-one
SYSTEMATIC NAME: 1-[2-(diethylamino)ethylamino]-4-oxidanyl-10-oxidanylidene-thioxanthen-9-one
MOLECULAR FORMULA: C19H22N2O3S
MOLECULAR WEIGHT: 358.45458
SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)O)S(=O)C3=CC=CC=C3C2=O
Structure:

CAS RN: 220201-34-3
CAS Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]-1-oxoethyl]amino]butanedioate
OPENEYE Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
IUPAC Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
SYSTEMATIC NAME: tetrasodium (2S)-2-[2-[(2S,3S)-7-carboxylato-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-2,3,23,24-tetrahydroporphyrin-5-yl]ethanoylamino]butanedioate
MOLECULAR FORMULA: C38H37N5Na4O9
MOLECULAR WEIGHT: 799.68756
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)[O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
Structure:

CAS RN: 220680-62-6
CAS Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]-1-oxoethyl]amino]butanedioate
OPENEYE Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-12-ethyl-2,8,13,18-tetramethyl-17-vinyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
IUPAC Name: tetrasodium (2S)-2-[[2-[(2S,3S)-7-carboxylato-3-(2-carboxylatoethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]butanedioate
SYSTEMATIC NAME: tetrasodium (2S)-2-[2-[(2S,3S)-7-carboxylato-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-3-(3-oxidanidyl-3-oxidanylidene-propyl)-2,3,23,24-tetrahydroporphyrin-5-yl]ethanoylamino]butanedioate
MOLECULAR FORMULA: C38H37N5Na4O9
MOLECULAR WEIGHT: 799.68756
SMILES: CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)[O-])CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
Structure:

CAS RN: 149402-51-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H48N4O4
MOLECULAR WEIGHT: 636.82282
SMILES: CCCCCCOC(C)C1=C2C=C3C(=C(C(=CC4=NC5=C(CC(=O)C5=C4C)C6=NC(=CC(=C1C)N2)[C@H]([C@@H]6CCC(=O)O)C)N3)CC)C
Structure:

CAS RN: 129661-59-2
CAS Name: 4-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]imino-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]iminocyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]iminocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]iminocyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: CN\1C(=CN/C1=C\N=C2C=CC(=O)C=C2)[N+](=O)[O-]
Structure:

CAS RN: 128050-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H74IN3O21S2
MOLECULAR WEIGHT: 1292.20733
SMILES: CCN[C@H]1CO[C@H](C[C@@H]1OC)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3C4=CC=CC=C4[C@@]5(CC(=O)[C@@H](C36C5=CCS6)NC(=O)OC)O)C)NO[C@H]7C[C@@H]([C@@H]([C@H](O7)C)SC(=O)C8=C(C(=C(C(=C8OC)OC)OC9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)OC)O)I)C)O)O
Structure:

CAS RN: 126983-61-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H11N3O3
MOLECULAR WEIGHT: 293.27684
SMILES: CC1=NC2=C(C(=O)C=C(C2=O)OC)C3=C1C4=C(N3)C=CN=C4
Structure:

CAS RN: 126824-06-4
CAS Name: 4-[6-[6-(4-methyl-1-piperazinyl)-1,3-benzoxazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[6-[6-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[6-[6-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[6-[6-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C25H22N4O3
MOLECULAR WEIGHT: 426.46718
SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(O3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)O5
Structure:

CAS RN: 126824-05-3
CAS Name: 4-[5-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C25H23N5O2
MOLECULAR WEIGHT: 425.48242
SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)OC(=C6C=CC(=O)C=C6)N5
Structure:

CAS RN: 126824-04-2
CAS Name: 4-[6-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C25H23N5O2
MOLECULAR WEIGHT: 425.48242
SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)O5
Structure:

CAS RN: 119995-15-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34N4O9S
MOLECULAR WEIGHT: 590.64526
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)C[C@H]4SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Structure:

CAS RN: 119822-06-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23NO4
MOLECULAR WEIGHT: 329.39022
SMILES: CCCN1CC[C@]23[C@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
Structure:

CAS RN: 119798-87-7
CAS Name: 2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C26H35N5O8
MOLECULAR WEIGHT: 545.5848
SMILES: C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)CCC3=CC=C(C=C3)O
Structure:

CAS RN: 119777-90-1
CAS Name: (2S)-4-methyl-N-[(2S)-1-oxo-2-[4-(trifluoromethyl)anilino]propyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]pentanamide
OPENEYE Name: (2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]pentanamide
IUPAC Name: (2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]pentanamide
SYSTEMATIC NAME: (2S)-4-methyl-N-[(2S)-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]pentanamide
MOLECULAR FORMULA: C18H21F6N3O3
MOLECULAR WEIGHT: 441.368059
SMILES: C[C@@H](C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F)NC1=CC=C(C=C1)C(F)(F)F
Structure:

CAS RN: 119760-73-5
CAS Name: 3-[[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-o
OPENEYE Name: 3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropy
IUPAC Name: 3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3-[(3R,4R,5R,6S)-6-methyl-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4
MOLECULAR FORMULA: C39H50O19
MOLECULAR WEIGHT: 822.8029
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O
Structure:

CAS RN: 119738-57-7
CAS Name: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-2-[2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C27H26O17
MOLECULAR WEIGHT: 622.48514
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)O
Structure:

CAS RN: 123072-48-0
CAS Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-6-[12-[[(2R,3S,4R,5R)-1-oxo-2,3,5,6-tetrasulfonatooxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]hexyl]amino]dodecylamino]-1,2,4,5-tetrasulfonatooxyhexan-3-yl]oxy-
OPENEYE Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1,2-disulfonatooxyethyl]-4-oxo-2,3-disulfonatooxy-4-[12-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-hexanoyl]amin
IUPAC Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[12-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]dodecylamino]hexan-3-yl]oxy-3,5-d
SYSTEMATIC NAME: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxidanylidene-1,2,4,5-tetrasulfonatooxy-6-[12-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-hexanoyl]amino]dodecylamino]hexan-3-y
MOLECULAR FORMULA: C36H52N2Na16O70S16
MOLECULAR WEIGHT: 2513.6458
SMILES: C(CCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])CCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(
Structure:

CAS RN: 123072-47-9
CAS Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-6-[9-[[(2R,3S,4R,5R)-1-oxo-2,3,5,6-tetrasulfonatooxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]hexyl]amino]nonylamino]-1,2,4,5-tetrasulfonatooxyhexan-3-yl]oxy-3,5
OPENEYE Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1,2-disulfonatooxyethyl]-4-oxo-2,3-disulfonatooxy-4-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-hexanoyl]amino
IUPAC Name: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxo-1,2,4,5-tetrasulfonatooxy-6-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyhexanoyl]amino]nonylamino]hexan-3-yl]oxy-3,5-disu
SYSTEMATIC NAME: hexadecasodium [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-6-oxidanylidene-1,2,4,5-tetrasulfonatooxy-6-[9-[[(2R,3S,4R,5R)-2,3,5,6-tetrasulfonatooxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-hexanoyl]amino]nonylamino]hexan-3-yl]o
MOLECULAR FORMULA: C33H46N2Na16O70S16
MOLECULAR WEIGHT: 2471.56606
SMILES: C(CCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])CCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)[O-])OS(=O)
Structure:

CAS RN: 34277-00-4
CAS Name: 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
OPENEYE Name: 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
IUPAC Name: 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
SYSTEMATIC NAME: 2-azanyl-3-oxidanyl-10H-phenoxazine-1,9-dicarboxylic acid
MOLECULAR FORMULA: C14H10N2O6
MOLECULAR WEIGHT: 302.239
SMILES: C1=CC(=C2C(=C1)OC3=CC(=C(C(=C3N2)C(=O)O)N)O)C(=O)O
Structure:

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