3,3'-Sulfonylbis[6-ethoxy-benzoic Acid] - CAS 860563-20-8

Catalog:	BB076684
Product Name:	3,3'-Sulfonylbis[6-ethoxy-benzoic Acid]
CAS:	860563-20-8
Synonyms:	3,3'-Sulfonylbis[6-ethoxy-benzoic Acid]; 5-(3-carboxy-4-ethoxyphenyl)sulfonyl-2-ethoxybenzoic acid; 3,3'-Sulfonylbis(6-ethoxybenzoic acid)

Technical Data

IUPAC Name:	5-(3-carboxy-4-ethoxyphenyl)sulfonyl-2-ethoxybenzoic acid
Description:	3,3'-Sulfonylbis[6-ethoxy-benzoic Acid] (cas# 860563-20-8) is a compound useful in organic synthesis.
Molecular Weight:	394.4
Molecular Formula:	C18H18O8S
Canonical SMILES:	CCOC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C(=O)O)C(=O)O
InChI:	InChI=1S/C18H18O8S/c1-3-25-15-7-5-11(9-13(15)17(19)20)27(23,24)12-6-8-16(26-4-2)14(10-12)18(21)22/h5-10H,3-4H2,1-2H3,(H,19,20)(H,21,22)
InChI Key:	DSGDOXYEZTYKNT-UHFFFAOYSA-N
Solubility:	Dimethyl Sulfoxide, Methanol
Appearance:	White Solid

Complexity:	578
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	394.0722387
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	394.0722387
Rotatable Bond Count:	8
Topological Polar Surface Area:	136Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4