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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 7 results

Search term: C25H47NO9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9424192
InChI=1/C25H47NO9/c1-22(2,3)33-19(27)10-13-30-16-25(26,17-31-14-11-20(28)34-23(4,5)6)18-32-15-12-21(29)35-24(7,8)9/h10-18,26H2,1-9H3
C25H47NO9505.642484800
57256775

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18?,19+,20-,21-,24+/m0/s1
C25H47NO9505.64241200
23195359

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H47NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(29)18(16-27)26-25(33)35-24-23(32)22(31)21(30)20(17-28)34-24/h14-15,18-24,27-32H,2-13,16-17H2,1H3,(H,26,33)/b15-14-/t18?,19?,20-,21+,22+,23-,24+/m1/s1
C25H47NO9505.6423300
57256869

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H47NO9/c1-4-17(3)24(35-23(32)13-18(25(33)34)12-22(30)31)21(29)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-29H,4-15,26H2,1-3H3,(H,30,31)(H,33,34)/t16-,17+,18?,19+,20-,21-,24+/m0/s1
C25H47NO9505.6422100
78440048

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18+,19+,20-,21-,24+/m0/s1
C25H47NO9505.6422200
78444564

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C25H47NO9/c1-4-17(3)24(35-23(32)13-18(25(33)34)12-22(30)31)21(29)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-29H,4-15,26H2,1-3H3,(H,30,31)(H,33,34)
C25H47NO9505.6421100
95755490

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H47NO9/c1-22(2,3)33-19(27)10-13-30-16-25(26,17-31-14-11-20(28)34-23(4,5)6)18-32-15-12-21(29)35-24(7,8)9/h10-12,27-29H,13-18,26H2,1-9H3
C25H47NO9505.6421100

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