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NDH : Summary

Code

NDH

One-letter code

X

Molecule name

(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE

Synonyms

(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R,2S)-1,2-dihydronaphthalene-1,2-diol
OpenEye OEToolkits 1.5.0 (1R,2S)-1,2-dihydronaphthalene-1,2-diol

Formula

C10 H10 O2

Formal charge

0

Molecular weight

162.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC2C=Cc1c(cccc1)C2O
SMILES CACTVS 3.341 O[CH]1C=Cc2ccccc2[CH]1O
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C=CC(C2O)O
Canonical SMILES CACTVS 3.341 O[C@H]1C=Cc2ccccc2[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O

IUPAC InChI

InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1

IUPAC InChI key

QPUHWUSUBHNZCG-VHSXEESVSA-N
NDH

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-11-11

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned