CAS RN: 20008-04-2
CAS Name: acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] acetate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] acetate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] ethanoate
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C
Structure:
CAS RN: 19697-86-0
CAS Name: acetic acid [4-[(1E,6E)-7-(4-acetyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] ester
OPENEYE Name: [4-[(1E,6E)-7-(4-acetoxy-3-methoxy-phenyl)-3,5-dioxo-hepta-1,6-dienyl]-2-methoxy-phenyl] acetate
IUPAC Name: [4-[(1E,6E)-7-(4-acetyloxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[(1E,6E)-7-(4-acetyloxy-3-methoxy-phenyl)-3,5-bis(oxidanylidene)hepta-1,6-dienyl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C25H24O8
MOLECULAR WEIGHT: 452.45326
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC)OC
Structure:
CAS RN: 19624-79-4
CAS Name: iron(3+); (9Z,21Z,33Z)-3,15,27-triamino-10,22,34-trimethyl-7,19,31-trioxido-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-2,8,14,20,26,32-hexone
OPENEYE Name: ferric (9Z,21Z,33Z)-3,15,27-triamino-10,22,34-trimethyl-7,19,31-trioxido-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-2,8,14,20,26,32-hexone
IUPAC Name: iron(3+); (9Z,21Z,33Z)-3,15,27-triamino-10,22,34-trimethyl-7,19,31-trioxido-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-2,8,14,20,26,32-hexone
SYSTEMATIC NAME: iron(3+); (9Z,21Z,33Z)-3,15,27-tris(azanyl)-10,22,34-trimethyl-7,19,31-tris(oxidanidyl)-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-2,8,14,20,26,32-hexone
MOLECULAR FORMULA: C33H51FeN6O12
MOLECULAR WEIGHT: 779.63604
SMILES: C/C/1=C/C(=O)N(CCCC(C(=O)OCC/C(=C\C(=O)N(CCCC(C(=O)OCC/C(=C\C(=O)N(CCCC(C(=O)OCC1)N)[O-])/C)N)[O-])/C)N)[O-].[Fe+3]
Structure:
CAS RN: 19483-02-4
CAS Name: (E)-3-[(6R,6aS)-4,6-dimethoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-2-propenamide
OPENEYE Name: (E)-3-[(6R,6aS)-4,6-dimethoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
IUPAC Name: (E)-3-[(6R,6aS)-4,6-dimethoxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-[(6R,6aS)-4,6-dimethoxy-3-methyl-11-oxidanylidene-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@H]3[C@H](N2)OC)/C=C/C(=O)N)OC
Structure:
CAS RN: 19254-69-4
CAS Name: (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (9R,10R,13R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C28H40O
MOLECULAR WEIGHT: 392.6166
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3CC[C@]12C)C
Structure:
CAS RN: 19229-69-7
CAS Name: 1,3-bis[(Z)-1-oxooctadec-9-enoxy]propan-2-yl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-[(Z)-octadec-9-enoyl]oxy-1-[[(Z)-octadec-9-enoyl]oxymethyl]ethyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C44H84NO8P
MOLECULAR WEIGHT: 786.113421
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OP(=O)(OCC[N+](C)(C)C)[O-])COC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 18892-74-5
CAS Name: [2-[(5Z,8Z,11Z,14Z)-1-oxoeicosa-5,8,11,14-tetraenoxy]-3-(1-oxooctadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C46H84NO8P
MOLECULAR WEIGHT: 810.134821
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
Structure:
CAS RN: 18762-30-6
CAS Name: (1S,2R,4S,6R,7S)-2-bromo-4-(1-bromopropyl)-6-[(Z)-pent-2-en-4-ynyl]-5,8-dioxabicyclo[5.1.1]nonane
OPENEYE Name: (1S,2R,4S,6R,7S)-2-bromo-4-(1-bromopropyl)-6-[(Z)-pent-2-en-4-ynyl]-5,8-dioxabicyclo[5.1.1]nonane
IUPAC Name: (1S,2R,4S,6R,7S)-2-bromo-4-(1-bromopropyl)-6-[(Z)-pent-2-en-4-ynyl]-5,8-dioxabicyclo[5.1.1]nonane
SYSTEMATIC NAME: (1S,2R,4S,6R,7S)-2-bromanyl-4-(1-bromanylpropyl)-6-[(Z)-pent-2-en-4-ynyl]-5,8-dioxabicyclo[5.1.1]nonane
MOLECULAR FORMULA: C15H20Br2O2
MOLECULAR WEIGHT: 392.1261
SMILES: CCC([C@@H]1C[C@H]([C@@H]2C[C@H](O2)[C@H](O1)C/C=C\C#C)Br)Br
Structure:
CAS RN: 18361-48-3
CAS Name: propanoic acid [6-[[6-[[(11Z,13E)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[6-[[(11Z,13E)-4-acetoxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] propanoate
IUPAC Name: [6-[6-[[(11Z,13E)-4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
SYSTEMATIC NAME: [6-[6-[[(11Z,13E)-4-acetyloxy-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] propanoate
MOLECULAR FORMULA: C40H65NO15
MOLECULAR WEIGHT: 799.9418
SMILES: CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(/C=C\C=C\CC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C
Structure:
CAS RN: 18016-43-8
CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; (Z)-9-octadecenoic acid
OPENEYE Name: N'-(2-aminoethyl)ethane-1,2-diamine; (Z)-octadec-9-enoic acid
IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: N'-(2-azanylethyl)ethane-1,2-diamine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C22H47N3O2
MOLECULAR WEIGHT: 385.62748
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C(CNCCN)N
Structure:
CAS RN: 17750-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H45NO11
MOLECULAR WEIGHT: 655.7319
SMILES: CC1/C=C/C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)O)C)OC)C)C)O)O)\C
Structure:
CAS RN: 17688-29-8
CAS Name: [(2R)-2-[(5Z,8Z,11Z,14E)-1-oxoeicosa-5,8,11,14-tetraenoxy]-3-[(5Z,8Z,11Z,14Z)-1-oxoeicosa-5,8,11,14-tetraenoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2-[(5Z,8Z,11Z,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2-[(5Z,8Z,11Z,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2-[(5Z,8Z,11Z,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C48H80NO8P
MOLECULAR WEIGHT: 830.124461
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C/CCCCC
Structure:
CAS RN: 17209-70-0
CAS Name: ammonium [(Z)-octadec-9-enyl] sulfate
OPENEYE Name: ammonium [(Z)-octadec-9-enyl] sulfate
IUPAC Name: azanium [(Z)-octadec-9-enyl] sulfate
SYSTEMATIC NAME: azanium [(Z)-octadec-9-enyl] sulfate
MOLECULAR FORMULA: C18H39NO4S
MOLECULAR WEIGHT: 365.57156
SMILES: CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 856311-45-0
CAS Name: ammonium [(Z)-octadec-9-enyl] sulfate
OPENEYE Name: ammonium [(Z)-octadec-9-enyl] sulfate
IUPAC Name: azanium [(Z)-octadec-9-enyl] sulfate
SYSTEMATIC NAME: azanium [(Z)-octadec-9-enyl] sulfate
MOLECULAR FORMULA: C18H39NO4S
MOLECULAR WEIGHT: 365.57156
SMILES: CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 856565-87-2
CAS Name: ammonium [(Z)-octadec-9-enyl] sulfate
OPENEYE Name: ammonium [(Z)-octadec-9-enyl] sulfate
IUPAC Name: azanium [(Z)-octadec-9-enyl] sulfate
SYSTEMATIC NAME: azanium [(Z)-octadec-9-enyl] sulfate
MOLECULAR FORMULA: C18H39NO4S
MOLECULAR WEIGHT: 365.57156
SMILES: CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[NH4+]
Structure:
CAS RN: 17200-00-9
CAS Name: N-ethylethanamine; (Z)-9-octadecenoic acid
OPENEYE Name: N-ethylethanamine; (Z)-octadec-9-enoic acid
IUPAC Name: N-ethylethanamine; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: N-ethylethanamine; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C22H45NO2
MOLECULAR WEIGHT: 355.5982
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.CCNCC
Structure:
CAS RN: 16958-31-9
CAS Name: acetic acid [(1R,6R,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ester
OPENEYE Name: [(1R,6R,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
IUPAC Name: [(1R,6R,7R,11Z)-4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
SYSTEMATIC NAME: [(1R,6R,7R,11Z)-4-(1-hydroxyethyl)-6,7,14-trimethyl-4-oxidanyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ethanoate
MOLECULAR FORMULA: C21H31NO9
MOLECULAR WEIGHT: 441.47214
SMILES: C[C@@H]1CC(C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)OC(=O)C)C)(C(C)O)O
Structure:
CAS RN: 16958-30-8
CAS Name: acetic acid [(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-7-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]yl] ester
OPENEYE Name: [(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
IUPAC Name: [(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
SYSTEMATIC NAME: [(1R,3'S,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-tris(oxidanylidene)spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO8
MOLECULAR WEIGHT: 423.45686
SMILES: C[C@@H]1CC2([C@@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C
Structure:
CAS RN: 15576-39-3
CAS Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethylhexadec-1-enyl]-3-methylnaphthalene-1,4-dione
OPENEYE Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-naphthalene-1,4-dione
IUPAC Name: 2-[(E)-3-hydroperoxy-3,7,11,15-tetramethylhexadec-1-enyl]-3-methylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-[(E)-3-(dioxidanyl)-3,7,11,15-tetramethyl-hexadec-1-enyl]-3-methyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C31H46O4
MOLECULAR WEIGHT: 482.69454
SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)/C=C/C(C)(CCCC(C)CCCC(C)CCCC(C)C)OO
Structure:
CAS RN: 15347-55-4
CAS Name: lead(2+); (Z)-9-octadecenoate; (E)-9-octadecenoate
OPENEYE Name: plumbous; (Z)-octadec-9-enoate; (E)-octadec-9-enoate
IUPAC Name: lead(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
SYSTEMATIC NAME: lead(2+); (Z)-octadec-9-enoate; (E)-octadec-9-enoate
MOLECULAR FORMULA: C36H66O4Pb
MOLECULAR WEIGHT: 770.10684
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Pb+2]
Structure:
CAS RN: 14708-92-0
CAS Name: cobalt(3+); 3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoic acid
OPENEYE Name: cobaltic 3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoic acid
IUPAC Name: cobalt(3+); 3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoic acid
SYSTEMATIC NAME: cobalt(3+); 3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoic acid
MOLECULAR FORMULA: C45H65CoN10O8+2
MOLECULAR WEIGHT: 932.993
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)O.[Co+3]
Structure:
CAS RN: 14666-96-7
CAS Name: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: cobaltous; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62CoO4
MOLECULAR WEIGHT: 617.80828
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Co+2]
Structure:
CAS RN: 16996-52-4
CAS Name: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: cobaltous; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: cobalt(2+); (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62CoO4
MOLECULAR WEIGHT: 617.80828
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Co+2]
Structure:
CAS RN: 14463-33-3
CAS Name: cobalt(2+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltous [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(2+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(2+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C62H88CoN13O14P
MOLECULAR WEIGHT: 1329.347781
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co+2]
Structure:
CAS RN: 13962-05-5
CAS Name: 3-[(Z)-1-oxooctadec-9-enoxy]-4-(trimethylammonio)butanoate
OPENEYE Name: 3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylammonio)butanoate
IUPAC Name: 3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: 3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C25H47NO4
MOLECULAR WEIGHT: 425.64498
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
Structure:
CAS RN: 13657-68-6
CAS Name: (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
OPENEYE Name: (3S,6E,10S)-3-isopropyl-6,10-dimethyl-cyclodec-6-ene-1,4-dione
IUPAC Name: (3S,6E,10S)-6,10-dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione
SYSTEMATIC NAME: (3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-cyclodec-6-ene-1,4-dione
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C
Structure:
CAS RN: 13014-44-3
CAS Name: zinc; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
OPENEYE Name: zinc; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
IUPAC Name: zinc; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
SYSTEMATIC NAME: zinc; (9Z,12Z)-octadeca-9,12-dienoate; (9E,12E)-octadeca-9,12-dienoate
MOLECULAR FORMULA: C36H62O4Zn
MOLECULAR WEIGHT: 624.28408
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[Zn+2]
Structure:
CAS RN: 12764-54-4
CAS Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-12,14,16-trimethyl-1-oxoheptadeca-2,4,6,8,10,12-hexaenyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid
OPENEYE Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14,16-trimethyl-heptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid
IUPAC Name: 3-[4-[(2E,4E,6E,8E,10E,12E)-15-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2H-pyrrol-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[1-methyl-5-oxidanyl-3-oxidanylidene-4-[(2E,4E,6E,8E,10E,12E)-12,14,16-trimethyl-15-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-heptadeca-2,4,6,8,10,12-hexaenoyl]-2H-pyrrol-2-yl]propanoic acid
MOLECULAR FORMULA: C34H47NO9
MOLECULAR WEIGHT: 613.73828
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)OC(C(C)C)C(C)/C=C(\C)/C=C/C=C/C=C/C=C/C=C/C(=O)C2=C(N(C(C2=O)CCC(=O)O)C)O)O)O
Structure:
CAS RN: 11098-02-5
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 12624-35-0
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 57679-09-1
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 69929-22-2
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 70213-72-8
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 72480-12-7
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 84032-62-2
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
CAS RN: 89718-19-4
CAS Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
OPENEYE Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
IUPAC Name: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
SYSTEMATIC NAME: ethane-1,2-diamine; (9Z,12Z)-octadeca-9,12-dienoic acid
MOLECULAR FORMULA: C38H72N2O4
MOLECULAR WEIGHT: 620.98928
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CN
Structure:
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