CAS RN: 544-51-4
CAS Name: (3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid
OPENEYE Name: (3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid
IUPAC Name: (3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid
SYSTEMATIC NAME: (3E,5Z)-trideca-3,5,7,8-tetraen-10,12-diynoic acid
MOLECULAR FORMULA: C13H10O2
MOLECULAR WEIGHT: 198.2173
SMILES: C#CC#CC=C=C/C=C\C=C\CC(=O)O
Structure:
CAS RN: 463-40-1
CAS Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
OPENEYE Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SYSTEMATIC NAME: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
MOLECULAR FORMULA: C18H29O2-
MOLECULAR WEIGHT: 277.42166
SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-]
Structure:
CAS RN: 30636-50-1
CAS Name: (3R,4R,5R)-3-(dimethylamino)-4,5-dihydroxyhexanal
OPENEYE Name: (3R,4R,5R)-3-(dimethylamino)-4,5-dihydroxy-hexanal
IUPAC Name: (3R,4R,5R)-3-(dimethylamino)-4,5-dihydroxyhexanal
SYSTEMATIC NAME: (3R,4R,5R)-3-(dimethylamino)-4,5-bis(oxidanyl)hexanal
MOLECULAR FORMULA: C8H17NO3
MOLECULAR WEIGHT: 175.22548
SMILES: C[C@H]([C@@H]([C@@H](CC=O)N(C)C)O)O
Structure:
CAS RN: 68385-50-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H29N3O13S
MOLECULAR WEIGHT: 635.59646
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5[C@H]([C@@H](OC5OC4=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
Structure:
CAS RN: 11116-31-7
CAS Name: 3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxym
OPENEYE Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)ox
SYSTEMATIC NAME: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(az
MOLECULAR FORMULA: C55H84N17O21S3+
MOLECULAR WEIGHT: 1415.55176
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(
Structure:
CAS RN: 11056-06-7
CAS Name: 3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxym
OPENEYE Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)ox
SYSTEMATIC NAME: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(az
MOLECULAR FORMULA: C55H84N17O21S3+
MOLECULAR WEIGHT: 1415.55176
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(
Structure:
CAS RN: 488-69-7
CAS Name: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonatooxymethyl)-2-oxolanyl]methyl phosphate
OPENEYE Name: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]methyl phosphate
IUPAC Name: [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-2,3,4-tris(oxidanyl)-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C6H10O12P2-4
MOLECULAR WEIGHT: 336.083922
SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-]
Structure:
CAS RN: 15121-26-3
CAS Name: vanadium(2+)
OPENEYE Name: vanadium(2+)
IUPAC Name: vanadium(2+)
SYSTEMATIC NAME: vanadium(2+)
MOLECULAR FORMULA: V+2
MOLECULAR WEIGHT: 50.9415
SMILES: [V+2]
Structure:
CAS RN: 5399-63-3
CAS Name: 4-sulfonatobenzoate
OPENEYE Name: 4-sulfonatobenzoate
IUPAC Name: 4-sulfonatobenzoate
SYSTEMATIC NAME: 4-sulfonatobenzoate
MOLECULAR FORMULA: C7H4O5S-2
MOLECULAR WEIGHT: 200.16866
SMILES: C1=CC(=CC=C1C(=O)[O-])S(=O)(=O)[O-]
Structure:
CAS RN: 583-50-6
CAS Name: (2S,3S)-2,3,4-trihydroxybutanal
OPENEYE Name: (2S,3S)-2,3,4-trihydroxybutanal
IUPAC Name: (2S,3S)-2,3,4-trihydroxybutanal
SYSTEMATIC NAME: (2S,3S)-2,3,4-tris(oxidanyl)butanal
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C([C@@H]([C@@H](C=O)O)O)O
Structure:
CAS RN: 12597-73-8
CAS Name: deuteron
OPENEYE Name: deuteron
IUPAC Name: deuteron
SYSTEMATIC NAME: deuteron
MOLECULAR FORMULA: H+
MOLECULAR WEIGHT: 2.014102
SMILES: [2H+]
Structure:
CAS RN: 9083-53-8
CAS Name: triton
OPENEYE Name: triton
IUPAC Name: triton
SYSTEMATIC NAME: triton
MOLECULAR FORMULA: H+
MOLECULAR WEIGHT: 3.016049
SMILES: [3H+]
Structure:
CAS RN: 15808-32-9
CAS Name: nitrilomethane
OPENEYE Name: nitridomethane
IUPAC Name: azanylidynemethane
SYSTEMATIC NAME: azanylidynemethane
MOLECULAR FORMULA: CN+
MOLECULAR WEIGHT: 26.0174
SMILES: [C+]#N
Structure:
CAS RN: 2074-87-5
CAS Name: nitrilomethane
OPENEYE Name: nitridomethane
IUPAC Name: azanylidynemethane
SYSTEMATIC NAME: azanylidynemethane
MOLECULAR FORMULA: CN+
MOLECULAR WEIGHT: 26.0174
SMILES: [C+]#N
Structure:
CAS RN: 211750-61-7
CAS Name: nitrilomethane
OPENEYE Name: nitridomethane
IUPAC Name: azanylidynemethane
SYSTEMATIC NAME: azanylidynemethane
MOLECULAR FORMULA: CN+
MOLECULAR WEIGHT: 26.0174
SMILES: [C+]#N
Structure:
CAS RN: 2655-25-6
CAS Name: $l^{1}-azane
OPENEYE Name: $l^{1}-azane
IUPAC Name: $l^{1}-azane
SYSTEMATIC NAME: $l^{1}-azane
MOLECULAR FORMULA: HN
MOLECULAR WEIGHT: 15.01464
SMILES: [NH]
Structure:
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