TBC

(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE

Created:	2002-11-26
Last modified:	2011-06-04

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1 entries where TBC is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	19

2D diagram of TBC

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Chemical Component Summary
Name	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
Systematic Name (OpenEye OEToolkits)	(9S)-7,8,9,10-tetrahydrobenzo[a]pyren-9-ol
Formula	C₂₀ H₁₆ O
Molecular Weight	272.34
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC5Cc2c(cc1ccc4c3c1c2ccc3ccc4)CC5
SMILES	CACTVS	3.341	OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45
SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(CC4)O
Canonical SMILES	CACTVS	3.341	OC1CCc2cc3ccc4cccc5ccc(c2C1)c3c45
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)O
InChI	InChI	1.03	InChI=1S/C20H16O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-5,7,9-10,16,21H,6,8,11H2
InChIKey	InChI	1.03	WJDNKJGWMKTBJQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5289439

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