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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 89 results

Search term: C32H48O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9716290

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
C32H48O9576.71815762742
8206634


13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1
C32H48O9576.7181232500
4979181

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
C32H48O9576.7181151400
173235

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3
C32H48O9576.7181136700
5142833

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17?,20-,21+,22?,23?,24-,25+,27+,28+,29-,30+,31-,32+/m1/s1
C32H48O9576.71816400
9436697

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C32H48O9/c1-15-12-32(41-28(15,4)5)30(7)26-23(39-32)11-20-19-9-8-18-10-22(37-16(2)33)24(38-17(3)34)14-29(18,6)25(19)21(35)13-31(20,26)27(36)40-30/h15,18-27,35-36H,8-14H2,1-7H3/t15-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,29-,30+,31+,32-/m0/s1
C32H48O9576.71816500
172716

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27-,28+,29-,30-,31+,32-/m0/s1
C32H48O9576.71815500
9662

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21-,22?,23?,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
C32H48O9576.71814400
8183926

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C32H48O9/c1-15-10-16(33)25(38)32(39)13-29(5)19-7-6-18-27(2,3)21(41-26-23(37)22(36)17(34)12-40-26)8-9-30(18)14-31(19,30)20(35)11-28(29,4)24(15)32/h7,15,17-18,20-26,34-39H,6,8-14H2,1-5H3/t15-,17-,18+,20+,21+,22+,23-,24-,25+,26+,28-,29+,30-,31+,32-/m1/s1
C32H48O9576.71814400
9528613

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O9/c1-19(33)39-18-40-27(37)32(17-25(35)38-8)16-15-30(6)21(26(32)36)9-10-23-29(5)13-12-24(41-20(2)34)28(3,4)22(29)11-14-31(23,30)7/h21-24H,9-18H2,1-8H3/t21-,22+,23-,24+,29+,30-,31-,32-/m1/s1
C32H48O9576.71814300
9928182

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C32H48O9/c1-19(33)38-17-32(27(37)40-18-39-20(2)34)16-15-30(7)22(26(32)36)9-10-24-29(6)13-12-25(41-21(3)35)28(4,5)23(29)11-14-31(24,30)8/h22-25H,9-18H2,1-8H3/t22-,23+,24-,25+,29+,30-,31-,32+/m1/s1
C32H48O9576.71814300
22938274

2 of 13 defined stereocentres - 2/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17?,20?,21?,22-,23+,24?,25?,27?,28?,29?,30?,31?,32?/m0/s1
C32H48O9576.71814200
26647753

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C32H48O9/c1-9-20(5)30(41-32-29(37)28(36)27(35)25(17-33)40-32)21(6)16-19(4)13-11-12-18(3)14-15-24-22(7)26(34)23(10-2)31(38-8)39-24/h9,11,13-16,18,21,25,27-30,32-33,35-37H,10,12,17H2,1-8H3/b13-11+,15-14+,19-16+,20-9+/t18?,21?,25-,27-,28+,29-,30?,32+/m1/s1
C32H48O9576.71814400
1422

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3
C32H48O9576.71813400
229992

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17?,20-,21+,22+,23-,24?,25+,27?,28+,29?,30+,31-,32+/m1/s1
C32H48O9576.71813400
281317

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C32H48O9/c1-17-27(40-18(2)33)28(37-5)26(35)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3
C32H48O9576.71813200
9663

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20?,21+,22?,23?,24-,25+,27+,28+,29-,30+,31-,32+/m1/s1
C32H48O9576.71813300
164594

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C32H48O9/c1-29(2)38-16-23-27(41-29)25(34)26(35)28(40-23)39-19-7-10-30(3)18(14-19)5-6-22-21(30)8-11-31(4)20(9-12-32(22,31)36)17-13-24(33)37-15-17/h13,18-23,25-28,34-36H,5-12,14-16H2,1-4H3/t18-,19+,20-,21+,22-,23-,25-,26-,27?,28-,30+,31-,32?/m1/s1
C32H48O9576.71813300
172744

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28+,29-,30-,31+,32-/m0/s1
C32H48O9576.71813300
12345

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