sodium 7-ethoxycarbonyl-9,10-dimethoxy-anthracene-2-sulfonate

Systemtic Name: sodium 7-ethoxycarbonyl-9,10-dimethoxy-anthracene-2-sulfonate Openeye Name: sodium 7-ethoxycarbonyl-9,10-dimethoxy-anthracene-2-sulfonate CAS Name: sodium 7-ethoxycarbonyl-9,10-dimethoxy-2-anthracenesulfonate IUPAC Name: sodium 7-ethoxycarbonyl-9,10-dimethoxyanthracene-2-sulfonate Traditional Name: sodium 7-carbethoxy-9,10-dimethoxy-anthracene-2-sulfonate Formula: C19H17NaO7S MolecularWeight: 412.38885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2OC)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=C2OC)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C19H18O7S.Na/c1-4-26-19(20)11-5-7-13-15(9-11)18(25-3)16-10-12(27(21,22)23)6-8-14(16)17(13)24-2;/h5-10H,4H2,1-3H3,(H,21,22,23);/q;+1/p-1