sodium 6-decoxy-1,3-dihydro-2-benzothiophene-5-sulfonate

Systemtic Name: sodium 6-decoxy-1,3-dihydro-2-benzothiophene-5-sulfonate Openeye Name: sodium 6-decoxy-1,3-dihydro-2-benzothiophene-5-sulfonate CAS Name: sodium 6-decoxy-1,3-dihydro-2-benzothiophene-5-sulfonate IUPAC Name: sodium 6-decoxy-1,3-dihydro-2-benzothiophene-5-sulfonate Traditional Name: sodium 6-decoxy-1,3-dihydroisobenzothiophene-5-sulfonate Formula: C18H27NaO4S2 MolecularWeight: 394.52435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C2CSCC2=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C2CSCC2=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H28O4S2.Na/c1-2-3-4-5-6-7-8-9-10-22-17-11-15-13-23-14-16(15)12-18(17)24(19,20)21;/h11-12H,2-10,13-14H2,1H3,(H,19,20,21);/q;+1/p-1