30Z

4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL

Created:	2011-06-10
Last modified:	2014-09-05

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3 entries where 30Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	2
Bond Count	45
Aromatic Bond Count	12

2D diagram of 30Z

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Chemical Component Summary
Name	4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	4-[(2S,3S)-4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol
Formula	C₁₈ H₂₂ O₄
Molecular Weight	302.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1O)CC(C)C(C)Cc2ccc(O)c(O)c2
SMILES	CACTVS	3.385	C[CH](Cc1ccc(O)c(O)c1)[CH](C)Cc2ccc(O)c(O)c2
SMILES	OpenEye OEToolkits	1.9.2	CC(Cc1ccc(c(c1)O)O)C(C)Cc2ccc(c(c2)O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc2ccc(O)c(O)c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O
InChI	InChI	1.03	InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey	InChI	1.03	HCZKYJDFEPMADG-RYUDHWBXSA-N

Related Resource References

Resource Name	Reference
PubChem	688035

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