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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
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Isotopically Labeled
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Found 8 results

Search term: C33H38O21 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9506673

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H38O21/c1-9-17(38)20(41)22(43)31(48-9)54-29-27(51-32-23(44)21(42)18(39)15(8-34)50-32)24(45)28(30(46)47)53-33(29)52-26-19(40)16-13(37)6-12(36)7-14(16)49-25(26)10-2-4-11(35)5-3-10/h2-7,9,15,17-18,20-24,27-29,31-39,41-45H,8H2,1H3,(H,46,47)/t9-,15+,17-,18+,20+,21-,22+,23+,24-,27-,28-,29+,31-,32-,33+/m0/s1
C33H38O21770.64222100
24843860

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C33H38O21/c1-33(48,7-21(38)39)8-22(40)49-10-20-26(43)28(45)30(47)32(54-20)52-18-3-11(2-15(37)24(18)41)16-6-14(36)23-13(35)4-12(5-17(23)51-16)50-31-29(46)27(44)25(42)19(9-34)53-31/h2-6,19-20,25-32,34-35,37,41-48H,7-10H2,1H3,(H,38,39)/t19?,20?,25-,26-,27+,28+,29?,30?,31-,32-,33?/m1/s1
C33H38O21770.64221100
24844142

6 of 11 defined stereocentres - 6/11 defined
InChI=1/C33H38O21/c1-33(48,7-20(38)39)8-21(40)49-10-19-24(42)27(45)28(46)31(53-19)51-17-6-16-22(14(37)5-15(50-16)11-2-3-12(35)13(36)4-11)25(43)30(17)54-32-29(47)26(44)23(41)18(9-34)52-32/h2-6,18-19,23-24,26-29,31-32,34-36,41-48H,7-10H2,1H3,(H,38,39)/t18?,19?,23-,24-,26+,27+,28?,29?,31-,32+,33?/m1/s1
C33H38O21770.64221100
24844513

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C33H38O21/c1-9-17(36)20(39)24(43)31(49-9)48-8-15-18(37)21(40)25(44)33(52-15)53-28-19(38)16-13(35)6-12(7-14(16)51-27(28)10-2-4-11(34)5-3-10)50-32-26(45)22(41)23(42)29(54-32)30(46)47/h2-7,9,15,17-18,20-26,29,31-37,39-45H,8H2,1H3,(H,46,47)/t9?,15?,17-,18+,20-,21?,22-,23-,24?,25?,26?,29?,31+,32+,33-/m0/s1
C33H38O21770.64221100
74886649

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C33H38O21/c34-6-12-17(38)20(41)23(44)29(51-12)14-10(37)5-11-15(28(14)53-33-26(47)22(43)25(46)31(54-33)32(48)49)19(40)16(27(50-11)8-1-3-9(36)4-2-8)30-24(45)21(42)18(39)13(7-35)52-30/h1-5,12-13,17-18,20-26,29-31,33-39,41-47H,6-7H2,(H,48,49)
C33H38O21770.64221100
115269617

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H38O21/c1-33(48,7-21(38)39)8-22(40)49-10-20-26(43)28(45)30(47)32(54-20)52-18-3-11(2-15(37)24(18)41)16-6-14(36)23-13(35)4-12(5-17(23)51-16)50-31-29(46)27(44)25(42)19(9-34)53-31/h2-6,19-20,25-32,34-35,37,41-48H,7-10H2,1H3,(H,38,39)/t19-,20-,25-,26-,27+,28+,29-,30-,31-,32-,33?/m1/s1
C33H38O21770.64221100
115269755

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H38O21/c1-33(48,7-20(38)39)8-21(40)49-10-19-24(42)27(45)28(46)31(53-19)51-17-6-16-22(14(37)5-15(50-16)11-2-3-12(35)13(36)4-11)25(43)30(17)54-32-29(47)26(44)23(41)18(9-34)52-32/h2-6,18-19,23-24,26-29,31-32,34-36,41-48H,7-10H2,1H3,(H,38,39)/t18-,19-,23-,24-,26+,27+,28-,29-,31-,32+,33?/m1/s1
C33H38O21770.64221100
115269887

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H38O21/c1-9-17(36)20(39)24(43)31(49-9)48-8-15-18(37)21(40)25(44)33(52-15)53-28-19(38)16-13(35)6-12(7-14(16)51-27(28)10-2-4-11(34)5-3-10)50-32-26(45)22(41)23(42)29(54-32)30(46)47/h2-7,9,15,17-18,20-26,29,31-37,39-45H,8H2,1H3,(H,46,47)/t9-,15+,17-,18+,20+,21-,22-,23-,24+,25+,26+,29-,31+,32+,33-/m0/s1
C33H38O21770.64221100

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