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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 254 results

Search term: C30H46O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58559

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1
C30H46O6502.68265110100
8800647

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-19,21-23,32-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
C30H46O6502.6826221600
10283561

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,25-,26-,27-,28-,29-,30+/m1/s1
C30H46O6502.6826191400
10283558

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21+,22-,25-,26-,27-,28-,29-,30+/m1/s1
C30H46O6502.6826171502
385658

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)
C30H46O6502.6826164000
167184

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H46O6/c1-16(2)17(3)7-8-18(4)23-11-12-24-22-10-9-20-13-21(36-19(5)31)14-26(33)29(20,6)27(22)25(32)15-30(23,24)28(34)35/h9,16,18,21-27,32-33H,3,7-8,10-15H2,1-2,4-6H3,(H,34,35)/t18-,21-,22+,23-,24+,25-,26+,27-,29-,30+/m1/s1
C30H46O6502.682611900
4945082

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C30H46O6/c1-15(2)19-8-9-30(5)12-23-18(13-31)6-7-20-17(4)26(11-22(20)16(3)21(23)10-24(19)30)36-29-28(34)27(33)25(32)14-35-29/h6,13,15,17,19-21,23-29,32-34H,7-12,14H2,1-5H3/b18-6-,22-16-/t17-,19-,20-,21+,23+,24-,25+,26-,27-,28+,29-,30+/m0/s1
C30H46O6502.68269900
4905623

Double-bond stereo
InChI=1/C30H46O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-28(34)29(35-24(3)31)23(2)27(33)30(26)36-25(4)32/h8-9H,5-7,10-22H2,1-4H3/b9-8+
C30H46O6502.68268500
34500610

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H46O6/c1-18(8-7-9-19(2)26(33)34)22-14-15-30(6)24-12-10-21(20(3)27(35)36)23(11-13-25(31)32)28(24,4)16-17-29(22,30)5/h9,18,22-24H,7-8,10-17H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)/b19-9+,21-20-/t18-,22-,23-,24-,28+,29-,30+/m1/s1
C30H46O6502.68268500
304278

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C30H46O6/c1-25(2)16-9-11-19-27(5)14-18(31)24(30(8)21(33)13-23(36-30)26(3,4)35)28(27,6)15-22(34)29(19,7)17(16)10-12-20(25)32/h9,17-20,23-24,31-32,35H,10-15H2,1-8H3
C30H46O6502.68267500
16737919

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1
C30H46O6502.68267802
10283563

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C30H46O6/c1-17-9-14-30(24(34)35)16-15-26(3)18(22(30)29(17,6)36)7-8-19-25(2)12-11-21(31)28(5,23(32)33)20(25)10-13-27(19,26)4/h7,17,19-22,31,36H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,19-,20-,21+,22-,25-,26-,27-,28+,29-,30+/m1/s1
C30H46O6502.68266602
10214091

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C30H46O6/c1-25(2)13-14-30(24(35)36)18(15-25)17-7-8-19-26(3)11-10-21(31)29(6,23(33)34)20(26)9-12-27(19,4)28(17,5)16-22(30)32/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21-,22+,26+,27+,28+,29-,30+/m0/s1
C30H46O6502.68266600
72390696

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C30H46O6/c1-18(8-7-9-19(2)26(33)34)22-14-15-30(6)24-12-10-21(20(3)27(35)36)23(11-13-25(31)32)28(24,4)16-17-29(22,30)5/h9,18,22-24H,7-8,10-17H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)
C30H46O6502.68266600
57269979

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C30H46O6/c1-6-7-8-9-10-11-12-13-24(32)36-29-16-20(3)30(35)22(25(29)27(29,4)5)15-21(18-31)17-28(34)23(30)14-19(2)26(28)33/h14-15,20,22-23,25,31,34-35H,6-13,16-18H2,1-5H3/t20-,22+,23-,25-,28-,29+,30-/m1/s1
C30H46O6502.68265300
29365071

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19?,20-,21?,22-,23?,25-,26?,27-,28-,29-,30+/m1/s1
C30H46O6502.68265200
2035195

5 of 10 defined stereocentres - 5/10 defined
InChI=1/C30H46O6/c1-7-34-28(33)13-8-18(2)24-11-12-25-23-10-9-21-16-22(35-19(3)31)14-15-29(21,5)26(23)17-27(30(24,25)6)36-20(4)32/h9-10,18,21-27H,7-8,11-17H2,1-6H3/t18?,21-,22?,23?,24-,25?,26?,27+,29+,30-/m1/s1
C30H46O6502.6826400000015400
2276940
InChI=1/C30H46O6/c1-5-27(31)25(28(32)6-2)15-11-9-13-21-35-23-17-19-24(20-18-23)36-22-14-10-12-16-26(29(33)7-3)30(34)8-4/h17-20,25-26H,5-16,21-22H2,1-4H3
C30H46O6502.6826400000015500
204421

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H46O6/c1-17(9-10-24(34)35-8)19-11-14-29(6)26-20(32)15-22-27(3,4)23(36-18(2)31)12-13-28(22,5)25(26)21(33)16-30(19,29)7/h17,19,22-23,25-26H,9-16H2,1-8H3/t17-,19-,22+,23+,25+,26-,28+,29+,30-/m1/s1
C30H46O6502.68265300
139096

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C30H46O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h15-16,19,21-22,24-25,27,31,33,35H,6-14,17H2,1-5H3
C30H46O6502.68265500
12345

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