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sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid

sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid

Systemtic Name:sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid
Openeye Name:sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid
CAS Name:sodium 1-[4-(1-sulfobutoxy)phenoxy]-1-butanesulfonic acid
IUPAC Name:sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid
Traditional Name:sodium 1-[4-(1-sulfobutoxy)phenoxy]butane-1-sulfonic acid
Formula: C14H22NaO8S2+
MolecularWeight: 405.43945
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=CC=C(C=C1)OC(CCC)S(=O)(=O)O)S(=O)(=O)O.[Na+]


Isomeric SMILES

CCCC(OC1=CC=C(C=C1)OC(CCC)S(=O)(=O)O)S(=O)(=O)O.[Na+]


InChI

InChI=1S/C14H22O8S2.Na/c1-3-5-13(23(15,16)17)21-11-7-9-12(10-8-11)22-14(6-4-2)24(18,19)20;/h7-10,13-14H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20);/q;+1


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