sodium 2,6-bis(ethoxycarbonyl)naphthalene-1-sulfonate

Systemtic Name: sodium 2,6-bis(ethoxycarbonyl)naphthalene-1-sulfonate Openeye Name: sodium 2,6-bis(ethoxycarbonyl)naphthalene-1-sulfonate CAS Name: sodium 2,6-bis(ethoxycarbonyl)-1-naphthalenesulfonate IUPAC Name: sodium 2,6-bis(ethoxycarbonyl)naphthalene-1-sulfonate Traditional Name: sodium 2,6-dicarbethoxynaphthalene-1-sulfonate Formula: C16H15NaO7S MolecularWeight: 374.34087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C(C=C2)C(=O)OCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=C(C=C2)C(=O)OCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H16O7S.Na/c1-3-22-15(17)11-6-7-12-10(9-11)5-8-13(16(18)23-4-2)14(12)24(19,20)21;/h5-9H,3-4H2,1-2H3,(H,19,20,21);/q;+1/p-1