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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
Additional Filters

Found 19 results

Search term: C32H42O15 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17460645

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16-,17-,22+,23-,24+,25+,26-,27+,28+,29?,30?,31+,32+/m0/s1
C32H42O15666.66699600
22905588

3 of 14 defined stereocentres - 3/14 defined
InChI=1/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13?,16-,17-,22?,23?,24?,25?,26?,27?,28?,29+,30?,31?,32?/m0/s1
C32H42O15666.66694200
28945136

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H42O15/c1-39-19-6-4-14(8-21(19)40-2)29-16-10-43-30(17(16)11-42-29)15-5-7-20(22(9-15)41-3)46-32-28(38)26(36)25(35)23(47-32)13-45-31-27(37)24(34)18(33)12-44-31/h4-9,16-18,23-38H,10-13H2,1-3H3/t16-,17-,18+,23+,24-,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1
C32H42O15666.66693200
59001337

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C32H42O15/c1-15(2)27(37)41-14-31-24(44-18(5)35)21(42-16(3)33)12-30(9,39)32(31)25(45-19(6)36)22(29(7,8)47-32)23(43-17(4)34)26(31)46-28(38)20-10-11-40-13-20/h10-11,13,15,21-26,39H,12,14H2,1-9H3/t21-,22+,23+,24-,25+,26-,30-,31-,32-/m0/s1
C32H42O15666.66692200
76832536

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16-,17-,22+,23-,24+,25+,26-,27+,28+,29+,30?,31+,32+/m0/s1
C32H42O15666.66692200
3029282

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C32H42O15/c1-13-23(34)25(36)27(38)31(45-13)44-12-22-24(35)26(37)28(39)32(47-22)46-19-7-5-15(9-21(19)41-3)30-17-11-42-29(16(17)10-43-30)14-4-6-18(33)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3
C32H42O15666.6668799999992100
4237622

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H42O15/c1-39-19-6-4-14(8-21(19)40-2)29-16-10-43-30(17(16)11-42-29)15-5-7-20(22(9-15)41-3)46-32-28(38)26(36)25(35)23(47-32)13-45-31-27(37)24(34)18(33)12-44-31/h4-9,16-18,23-38H,10-13H2,1-3H3
C32H42O15666.6668799999992100
8185201

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H42O15/c1-39-18-6-4-14(8-20(18)40-2)29-16-11-43-30(17(16)12-42-29)15-5-7-19(21(9-15)41-3)45-32-28(38)26(36)25(35)23(47-32)13-44-31-27(37)24(34)22(10-33)46-31/h4-9,16-17,22-38H,10-13H2,1-3H3/t16-,17-,22+,23+,24-,25+,26-,27+,28+,29-,30+,31+,32+/m0/s1
C32H42O15666.66692100
8253686

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C32H42O15/c1-13-23(35)25(37)27(39)31(44-13)47-30-26(38)24(36)22(10-33)46-32(30)45-19-7-5-15(9-21(19)41-3)29-17-12-42-28(16(17)11-43-29)14-4-6-18(34)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16?,17?,22+,23-,24+,25+,26-,27+,28?,29?,30+,31-,32+/m0/s1
C32H42O15666.66692100
8707831

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C32H42O15/c1-6-12(2)23(35)44-15-8-14(33)29-10-43-19(24(36)41-5)20(29)27(3)22(18-21(29)30(15,11-42-18)25(37)38)47-28(4)13-7-16(32(27,28)40)45-26-31(13,39)9-17(34)46-26/h6,13-22,26,33-34,39-40H,7-11H2,1-5H3,(H,37,38)/b12-6+/t13?,14-,15+,16+,17-,18+,19-,20-,21+,22+,26-,27-,28+,29+,30-,31?,32-/m0/s1
C32H42O15666.66692100
8755662

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C32H42O15/c1-4-16(2)29(40)47-30-25-21(11-23(36)32(25,41)15-44-17(3)34)19(13-42-30)14-43-31-28(27(39)26(38)22(12-33)45-31)46-24(37)10-7-18-5-8-20(35)9-6-18/h5-10,13,16,21-23,25-28,30-31,33,35-36,38-39,41H,4,11-12,14-15H2,1-3H3/b10-7+/t16?,21?,22-,23+,25?,26-,27+,28-,30+,31-,32-/m1/s1
C32H42O15666.66692100
8803558

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C32H42O15/c1-4-16(2)29(40)47-30-25-21(11-23(36)32(25,41)15-44-17(3)34)19(13-42-30)14-43-31-28(27(39)26(38)22(12-33)45-31)46-24(37)10-7-18-5-8-20(35)9-6-18/h5-10,13,16,21-23,25-28,30-31,33,35-36,38-39,41H,4,11-12,14-15H2,1-3H3/b10-7-/t16?,21?,22-,23+,25?,26-,27+,28-,30+,31-,32-/m1/s1
C32H42O15666.66692100
9414317

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C32H42O15/c1-11(2)31(41)30(40,10-33)32(42)28(47-31)24(37)18-12(3)7-14-19(26(18)46-32)23(36)21-20(25(14)43-6)16(8-15(34)22(21)35)45-17-9-29(5,39)27(38)13(4)44-17/h7,11,13,15-17,24,27-28,33-34,36-42H,8-10H2,1-6H3/t13-,15-,16-,17+,24-,27+,28-,29+,30+,31-,32+/m0/s1
C32H42O15666.66692100
9665619

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C32H42O15/c1-15(2)27(37)41-14-31-24(43-17(4)34)21(46-28(38)20-10-11-40-13-20)12-30(9,39)32(31)25(44-18(5)35)22(29(7,8)47-32)23(42-16(3)33)26(31)45-19(6)36/h10-11,13,15,21-26,39H,12,14H2,1-9H3/t21-,22+,23+,24-,25+,26-,30-,31-,32-/m0/s1
C32H42O15666.66692100
9977220

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C32H42O15/c1-39-20-8-5-17(13-22(20)41-3)7-10-25(35)46-29-24(15-33)45-32(43-12-11-18-6-9-21(40-2)23(14-18)42-4)28(38)30(29)47-31-27(37)26(36)19(34)16-44-31/h5-10,13-14,19,24,26-34,36-38H,11-12,15-16H2,1-4H3/b10-7+/t19-,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1
C32H42O15666.66692100
115269198

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H42O15/c1-13(2)4-9-16-17(34)10-19(42-3)21-29(16)46-28(14-5-7-15(33)8-6-14)27(41)30(21)47-32-26(40)24(38)23(37)20(45-32)12-44-31-25(39)22(36)18(35)11-43-31/h4-8,10,18,20,22-28,30-41H,9,11-12H2,1-3H3/t18-,20-,22+,23-,24+,25-,26-,27-,28-,30+,31+,32+/m1/s1
C32H42O15666.66691100
24842624

7 of 12 defined stereocentres - 7/12 defined
InChI=1/C32H42O15/c1-13(2)4-9-16-17(34)10-19(42-3)21-29(16)46-28(14-5-7-15(33)8-6-14)27(41)30(21)47-32-26(40)24(38)23(37)20(45-32)12-44-31-25(39)22(36)18(35)11-43-31/h4-8,10,18,20,22-28,30-41H,9,11-12H2,1-3H3/t18-,20?,22?,23-,24?,25?,26?,27-,28-,30+,31+,32+/m1/s1
C32H42O15666.66691100
28288890

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C32H42O15/c1-13(2)32(40)22-12-23(39)47-30(22,10)24-21(41-14(3)33)11-20-25(42-15(4)34)31(24,26(43-16(5)35)27(32)44-17(6)36)28(45-18(7)37)29(20,9)46-19(8)38/h20-22,24-28,40H,1,11-12H2,2-10H3/t20-,21+,22+,24+,25-,26-,27-,28+,29+,30+,31+,32+/m1/s1
C32H42O15666.66691100

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