CID 118695 - PubChem

Compound Summary (CID 118695)

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Compound Information

Properties and Descriptors

Old Version Substance Information

2D Structure
3D Conformer

Compound Information

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CID 118695

Create Date: 2005-08-08

Suppressed Compound

Properties and Descriptors

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Properties
Molecular Weight		376.358289 [g/mol]
Molecular Formula		C₁₉H₁₃NaO₅S
H-Bond Donor		1
H-Bond Acceptor		5
Rotatable Bond Count		2

Exact Mass		376.038139
MonoIsotopic Mass		376.038139
Topological Polar Surface Area		95
Heavy Atom Count		26
Formal Charge		0
Complexity		569
Isotope Atom Count		0
Defined Atom Stereocenter Count		0
Undefined Atom Stereocenter Count		1
Defined Bond Stereocenter Count		0
Undefined Bond Stereocenter Count		0
Covalently-Bonded Unit Count		2

Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES

Old Version Substance Information

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SID 695379, Version: 1, Same
SID 695379, Version: 2, Same
SID 10238158, Version: 1, Same
SID 10238158, Version: 2, Same