Matches any text strings used to describe a molecule.
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 5 results

Search term: VVOBNOKKAUOIJN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4948226

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+
C30H34N2O7534.60024300
8500296

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t28?,29?,30-/m0/s1
C30H34N2O7534.60024200
8753642

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t28-,29-,30+/m1/s1/i18+1
C2913CH34N2O7535.59282200
59701463

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t28-,29+,30-/m1/s1
C30H34N2O7534.60022100
114779236

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t28-,29-,30+/m1/s1
C30H34N2O7534.60021200

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