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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 12 results

Search term: C33H51NO7 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19958909

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16-,18+,20-,21-,22-,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
C33H51NO7573.7605151600
29769044

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H51NO7/c1-18(7-10-29(38)34-20-15-26(39-4)31(41-6)27(16-20)40-5)22-8-9-23-30-24(17-28(37)33(22,23)3)32(2)12-11-21(35)13-19(32)14-25(30)36/h15-16,18-19,21-25,28,30,35-37H,7-14,17H2,1-6H3,(H,34,38)/t18-,19+,21-,22-,23+,24+,25-,28+,30+,32+,33-/m1/s1
C33H51NO7573.76058700
2299426

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C33H51NO7/c1-4-6-16-34(17-7-5-2)20-29(37)41-24-8-13-31(22-35)26-9-12-30(3)25(23-18-28(36)40-21-23)11-15-33(30,39)27(26)10-14-32(31,38)19-24/h18,22,24-27,38-39H,4-17,19-21H2,1-3H3/t24-,25+,26-,27+,30+,31-,32-,33?/m0/s1
C33H51NO7573.7605399999983300
7983966

6 of 15 defined stereocentres - 6/15 defined
InChI=1/C33H51NO7/c1-16-11-25-27(34-14-16)18(3)33(41-25)10-8-21-22-6-5-19-12-20(7-9-32(19,4)24(22)13-23(21)17(33)2)39-31-30(38)29(37)28(36)26(15-35)40-31/h5,16,18,20-22,24-31,34-38H,6-15H2,1-4H3/t16?,18?,20-,21?,22?,24?,25?,26+,27?,28+,29-,30+,31+,32?,33?/m0/s1
C33H51NO7573.76052100
8730528

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H51NO7/c1-18(2)19-9-14-33(28(40)41)16-15-30(4)20(25(19)33)7-8-22-29(3)12-11-24(36)32(6,23(29)10-13-31(22,30)5)27(39)34-21(17-35)26(37)38/h19-25,35-36H,1,7-17H2,2-6H3,(H,34,39)(H,37,38)(H,40,41)/t19-,20+,21-,22+,23+,24+,25+,29+,30+,31+,32-,33-/m0/s1
C33H51NO7573.76052100
8826135

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H51NO7/c1-18(2)19-9-14-33(27(39)34-21(17-35)26(37)38)16-15-30(4)20(25(19)33)7-8-22-29(3)12-11-24(36)32(6,28(40)41)23(29)10-13-31(22,30)5/h19-25,35-36H,1,7-17H2,2-6H3,(H,34,39)(H,37,38)(H,40,41)/t19-,20+,21-,22+,23+,24+,25+,29+,30+,31+,32-,33-/m0/s1
C33H51NO7573.76052100
29215483

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8+,23-13-/t22?,24?,26?,27-,28?,29?,33?/m0/s1
C33H51NO7573.76052200
32679544

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H51NO7/c1-18-24(36)16-22-29(38)27-19(2)25(41-26(37)17-23(34(7)8)21-12-10-9-11-13-21)14-15-33(27,6)31(39)30(40-20(3)35)28(18)32(22,4)5/h21-23,25,27,29-31,38-39H,2,9-17H2,1,3-8H3/t22-,23+,25-,27-,29+,30+,31-,33+/m0/s1
C33H51NO7573.76051100
78445701

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8-,23-13-/t22?,24?,26?,27-,28?,29?,33?/m0/s1
C33H51NO7573.76051100
20087492

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H51NO7/c1-4-6-16-34(17-7-5-2)19-27(36)31(38)15-14-30(22-35)25-8-11-29(3)24(23-18-28(37)41-20-23)10-13-33(29,40)26(25)9-12-32(30,39)21-31/h18,22,24-26,38-40H,4-17,19-21H2,1-3H3/t24-,25+,26-,29-,30+,31+,32+,33+/m1/s1
C33H51NO7573.76051100
21270084

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H51NO7/c1-4-6-16-34(17-7-5-2)20-29(37)41-24-8-13-31(22-35)26-9-12-30(3)25(23-18-28(36)40-21-23)11-15-33(30,39)27(26)10-14-32(31,38)19-24/h18,22,24-27,38-39H,4-17,19-21H2,1-3H3/t24-,25+,26-,27+,30+,31-,32-,33-/m0/s1
C33H51NO7573.76051100
28287360

Double-bond stereo

1 of 7 defined stereocentres - 1/7 defined
InChI=1/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8+,23-13-/t22?,24?,26?,27-,28?,29?,33?/m1/s1
C33H51NO7573.76051100

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