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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 33 results

Search term: C35H60O7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28424459

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1
C35H60O7592.8467161300
28510719

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27?,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1
C35H60O7592.84673200
519021

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)31(24(5)25(6)32(27)42-35)40-34-30(39)29(38)33(41-34)28(37)20-36/h21-23,28-30,33-34,36-39H,9-20H2,1-8H3
C35H60O7592.84673400
8275530

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22-,23-,28-,29-,30+,31-,34?,35-/m1/s1
C35H60O7592.84673300
8501589

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C35H60O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-35(5)22-20-27-26(4)32(24(2)25(3)33(27)42-35)41-34-31(39)30(38)29(37)28(23-36)40-34/h28-31,34,36-39H,6-23H2,1-5H3/t28-,29-,30+,31+,34-,35?/m1/s1
C35H60O7592.84672100
8636504

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-10-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-15-14-18-28(36)17-12-9-7-8-11-16-27-25-26(2)40-35(27)39/h25-26,29-34,37-38H,3-24H2,1-2H3/t26-,29-,30+,31?,32?,33+,34+/m0/s1
C35H60O7592.84672100
8659009

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29+,30+,31+,32+,33+,34+/m0/s1
C35H60O7592.84672100
8730827

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29+,30+,31-,32+,33+,34+/m0/s1
C35H60O7592.84672100
8802648

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-12-19-31(37)33-21-22-34(42-33)32(38)20-14-13-16-28(36)25-30-18-15-17-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29?,30?,31+,32+,33+,34+/m0/s1
C35H60O7592.84672100
8850323

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-12-19-31(37)33-21-22-34(42-33)32(38)20-14-13-16-28(36)25-30-18-15-17-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26?,29?,30?,31-,32+,33-,34+/m0/s1
C35H60O7592.84672100
9050943

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22?,23?,28-,29+,30+,31-,34+,35?/m1/s1
C35H60O7592.84672100
9257675

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22-,23-,28+,29+,30-,31+,34-,35+/m0/s1
C35H60O7592.84672100
9321482

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22?,23?,28-,29-,30+,31+,34-,35?/m1/s1
C35H60O7592.84672100
9574079

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h16,19,25,27,30-34,37-39H,3-15,17-18,20-24,26H2,1-2H3/b19-16+/t27-,30+,31-,32+,33+,34+/m0/s1
C35H60O7592.84672100
23236662

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C35H60O7/c1-27(2)7-9-33(41-31-14-21-37-22-15-31)28(3)6-5-18-35(4)34(42-32-16-23-38-24-17-32)10-8-29(26-40-35)11-25-39-30-12-19-36-20-13-30/h7,11,28,30-34H,5-6,8-10,12-26H2,1-4H3/b29-11+/t28?,33?,34-,35+/m1/s1
C35H60O7592.84672200
8027205

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C35H60O7/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-17-35(7)18-16-28-25(5)19-27(26(6)33(28)42-35)21-40-34-32(39)31(38)30(37)29(20-36)41-34/h19,22-24,29-32,34,36-39H,8-18,20-21H2,1-7H3/t23-,24-,29-,30-,31+,32-,34-,35?/m1/s1
C35H60O7592.84672100
107449362

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)32(24(5)25(6)33(27)42-35)41-34-31(39)30(38)29(37)28(20-36)40-34/h21-23,28-31,34,36-39H,9-20H2,1-8H3/t22-,23-,28-,29-,30+,31-,34+,35-/m1/s1
C35H60O7592.84671100
113611801

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-/m1/s1
C35H60O7592.84671100
115015619

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27-,28-,29?,30-,31+,32-,33-,34+,35-/m1/s1
C35H60O7592.84671100
28286697

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C35H60O7/c1-3-4-5-6-7-8-9-10-11-12-19-31(37)33-21-22-34(42-33)32(38)20-14-13-16-28(36)25-30-18-15-17-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29+,30?,31-,32+,33-,34+/m0/s1
C35H60O7592.84671100
12

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