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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 12 results

Search term: C32H38O16 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9094743

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H38O16/c33-8-5-18-19(13-26(39)44-9-6-16-1-3-21(35)23(37)11-16)20(30(43)45-10-7-17-2-4-22(36)24(38)12-17)15-46-31(18)48-32-29(42)28(41)27(40)25(14-34)47-32/h1-5,11-12,15,19,25,27-29,31-38,40-42H,6-10,13-14H2/b18-5+/t19-,25+,27+,28-,29+,31-,32-/m0/s1
C32H38O16678.63459700
9709633

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H38O16/c1-15(33)40-14-24-28(43-18(4)36)29(44-19(5)37)30(45-20(6)38)31(46-24)48-32(7,8)25(42-17(3)35)13-22-23(41-16(2)34)11-9-21-10-12-26(39)47-27(21)22/h9-12,24-25,28-31H,13-14H2,1-8H3/t24-,25+,28-,29+,30-,31+/m1/s1
C32H38O16678.63452100
24844459

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18?,19?,21-,22-,24+,25?,26?,27?,31-,32+/m1/s1
C32H38O16678.63452200
82965415

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18-,19-,21-,22-,24+,25+,26-,27-,31-,32+/m0/s1
C32H38O16678.63452100
8230878

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C32H38O16/c1-40-18-11-15(6-7-17(18)33)28-23(30(39)45-13-21-25(36)27(38)32(43-4)47-21)16-9-14(10-19(41-2)29(16)48-28)5-8-22(34)44-12-20-24(35)26(37)31(42-3)46-20/h5-11,20-21,23-28,31-33,35-38H,12-13H2,1-4H3/b8-5+/t20-,21-,23?,24-,25-,26+,27+,28?,31+,32+/m0/s1
C32H38O16678.63452100
115269690

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H38O16/c1-12-24(35)27(38)29(40)32(45-12)48-31-28(39)25(36)21(11-44-13(2)33)47-30(31)23-19(43-5)10-20-22(26(23)37)15(34)9-17(46-20)14-6-7-16(41-3)18(8-14)42-4/h6-10,12,21,24-25,27-32,35-40H,11H2,1-5H3/t12-,21+,24-,25+,27+,28-,29+,30-,31+,32-/m0/s1
C32H38O16678.63451100
115269867

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H38O16/c1-12(2)3-8-15-17(44-31-26(42)24(40)21(37)18(10-33)45-31)9-16(36)20-23(39)30(28(47-29(15)20)13-4-6-14(35)7-5-13)48-32-27(43)25(41)22(38)19(11-34)46-32/h3-7,9,18-19,21-22,24-27,31-38,40-43H,8,10-11H2,1-2H3/t18-,19-,21-,22-,24+,25+,26-,27-,31-,32+/m1/s1
C32H38O16678.63451100
28284659

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C32H38O16/c1-12(2)3-8-15-17(9-16(36)20-23(39)26(42)28(47-29(15)20)13-4-6-14(35)7-5-13)44-32-30(25(41)22(38)19(11-34)46-32)48-31-27(43)24(40)21(37)18(10-33)45-31/h3-7,9,18-19,21-22,24-25,27,30-38,40-43H,8,10-11H2,1-2H3/t18-,19-,21-,22+,24?,25?,27-,30-,31+,32?/m1/s1
C32H38O16678.63451100
71044254

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C32H38O16/c1-12(2)3-5-15-18(46-32-30(43)28(41)26(39)21(10-34)48-32)8-19-22(23(15)36)24(37)16(11-44-19)14-6-4-13(7-17(14)35)45-31-29(42)27(40)25(38)20(9-33)47-31/h3-4,6-8,11,20-21,25-36,38-43H,5,9-10H2,1-2H3/t20-,21-,25-,26-,27+,28+,29-,30-,31-,32-/m1/s1
C32H38O16678.63451200
24535395

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C32H38O16/c1-12(33)41-11-19-25(42-13(2)34)27(43-14(3)35)28(44-15(4)36)30(45-19)46-26-20-16(10-32(7)29(26)47-31(5,6)48-32)23(39)21-17(37)8-9-18(38)22(21)24(20)40/h8-9,16,19-20,25-30,37-38H,10-11H2,1-7H3/t16-,19-,20+,25-,26-,27+,28-,29+,30?,32-/m1/s1
C32H38O16678.63451100
24844012

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C32H38O16/c1-12-24(35)27(38)29(40)32(45-12)48-31-28(39)25(36)21(11-44-13(2)33)47-30(31)23-19(43-5)10-20-22(26(23)37)15(34)9-17(46-20)14-6-7-16(41-3)18(8-14)42-4/h6-10,12,21,24-25,27-32,35-40H,11H2,1-5H3/t12?,21?,24-,25+,27-,28-,29?,30-,31?,32-/m0/s1
C32H38O16678.63451100

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