CAS RN: 18771-35-2
CAS Name: 2-benzoyl-3,3-dimercapto-2-propenenitrile; potassium
OPENEYE Name: 2-benzoyl-3,3-bis(sulfanyl)prop-2-enenitrile; potassium
IUPAC Name: 2-benzoyl-3,3-bis(sulfanyl)prop-2-enenitrile; potassium
SYSTEMATIC NAME: 2-(phenylcarbonyl)-3,3-bis(sulfanyl)prop-2-enenitrile; potassium
MOLECULAR FORMULA: C10H7KNOS2
MOLECULAR WEIGHT: 260.39698
SMILES: C1=CC=C(C=C1)C(=O)C(=C(S)S)C#N.[K]
Structure:
CAS RN: 35211-62-2
CAS Name: (1E)-N-[dimethyl-(phenylmethyl)ammonio]-2-methylpropanimidate
OPENEYE Name: (1E)-N-[benzyl(dimethyl)ammonio]-2-methyl-propanimidate
IUPAC Name: (1E)-N-[benzyl(dimethyl)azaniumyl]-2-methylpropanimidate
SYSTEMATIC NAME: (1E)-N-[dimethyl-(phenylmethyl)azaniumyl]-2-methyl-propanimidate
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: CC(C)/C(=N\[N+](C)(C)CC1=CC=CC=C1)/[O-]
Structure:
CAS RN: 34025-17-7
CAS Name: (1E)-N-[dimethyl-(phenylmethyl)ammonio]ethanimidate
OPENEYE Name: (1E)-N-[benzyl(dimethyl)ammonio]ethanimidate
IUPAC Name: (1E)-N-[benzyl(dimethyl)azaniumyl]ethanimidate
SYSTEMATIC NAME: (1E)-N-[dimethyl-(phenylmethyl)azaniumyl]ethanimidate
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: C/C(=N\[N+](C)(C)CC1=CC=CC=C1)/[O-]
Structure:
CAS RN: 34025-16-6
CAS Name: 2,4,4-trimethyl-2-(phenylmethyl)-3H-pyrazol-2-ium-5-olate
OPENEYE Name: 2-benzyl-2,4,4-trimethyl-3H-pyrazol-2-ium-5-olate
IUPAC Name: 2-benzyl-2,4,4-trimethyl-3H-pyrazol-2-ium-5-olate
SYSTEMATIC NAME: 2,4,4-trimethyl-2-(phenylmethyl)-3H-pyrazol-2-ium-5-olate
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1(C[N+](N=C1[O-])(C)CC2=CC=CC=C2)C
Structure:
CAS RN: 2883-99-0
CAS Name: 1-[1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumyl]ethanone bromide
OPENEYE Name: 1-[1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]ethanone bromide
IUPAC Name: 1-[1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]ethanone bromide
SYSTEMATIC NAME: 1-[1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]ethanone bromide
MOLECULAR FORMULA: C17H17BrN2O
MOLECULAR WEIGHT: 345.23368
SMILES: CC(=O)C1=C[N+](=CC=C1)CCC2=CNC3=CC=CC=C32.[Br-]
Structure:
CAS RN: 41962-29-2
CAS Name: propanoic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] propanoate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] propanoate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] propanoate hydrochloride
MOLECULAR FORMULA: C30H34ClNO12
MOLECULAR WEIGHT: 636.04346
SMILES: CCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O.Cl
Structure:
CAS RN: 41962-28-1
CAS Name: benzoic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] benzoate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] benzoate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] benzoate hydrochloride
MOLECULAR FORMULA: C34H34ClNO12
MOLECULAR WEIGHT: 684.08626
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)C6=CC=CC=C6)O)N)O.Cl
Structure:
CAS RN: 51898-39-6
CAS Name: octanoic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] octanoate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] octanoate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] octanoate hydrochloride
MOLECULAR FORMULA: C35H44ClNO12
MOLECULAR WEIGHT: 706.17636
SMILES: CCCCCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)N)O.Cl
Structure:
CAS RN: 51898-40-9
CAS Name: 3-pyridinecarboxylic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] pyridine-3-carboxylate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] pyridine-3-carboxylate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate hydrochloride
MOLECULAR FORMULA: C33H33ClN2O12
MOLECULAR WEIGHT: 685.07432
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)C6=CN=CC=C6)O)N)O.Cl
Structure:
CAS RN: 41962-30-5
CAS Name: 2-phenylacetic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] 2-phenylacetate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] 2-phenylacetate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] 2-phenylethanoate hydrochloride
MOLECULAR FORMULA: C35H36ClNO12
MOLECULAR WEIGHT: 698.11284
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)CC6=CC=CC=C6)O)N)O.Cl
Structure:
CAS RN: 41962-27-0
CAS Name: acetic acid [2-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] ester hydrochloride
OPENEYE Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxo-ethyl] acetate hydrochloride
IUPAC Name: [2-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] acetate hydrochloride
SYSTEMATIC NAME: [2-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]-2-oxidanylidene-ethyl] ethanoate hydrochloride
MOLECULAR FORMULA: C29H32ClNO12
MOLECULAR WEIGHT: 622.01688
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)COC(=O)C)O)N)O.Cl
Structure:
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