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sodium 1-phenoxytridecane-4-sulfonate

sodium 1-phenoxytridecane-4-sulfonate

Systemtic Name:sodium 1-phenoxytridecane-4-sulfonate
Openeye Name:sodium 1-phenoxytridecane-4-sulfonate
CAS Name:sodium 1-phenoxy-4-tridecanesulfonate
IUPAC Name:sodium 1-phenoxytridecane-4-sulfonate
Traditional Name:sodium 1-phenoxytridecane-4-sulfonate
Formula: C19H31NaO4S
MolecularWeight: 378.50181
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCOC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

CCCCCCCCCC(CCCOC1=CC=CC=C1)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C19H32O4S.Na/c1-2-3-4-5-6-7-11-15-19(24(20,21)22)16-12-17-23-18-13-9-8-10-14-18;/h8-10,13-14,19H,2-7,11-12,15-17H2,1H3,(H,20,21,22);/q;+1/p-1


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