sodium 5-(2-sulfobenzene-4-id-1-yl)oxycyclohexane-1,3-dicarboxylic acid

Systemtic Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxycyclohexane-1,3-dicarboxylic acid Openeye Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxycyclohexane-1,3-dicarboxylic acid CAS Name: sodium 5-[(2-sulfo-1-benzene-4-idyl)oxy]cyclohexane-1,3-dicarboxylic acid IUPAC Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxycyclohexane-1,3-dicarboxylic acid Traditional Name: sodium 5-(2-sulfobenzene-4-id-1-yl)oxycyclohexane-1,3-dicarboxylic acid Formula: C14H15NaO8S MolecularWeight: 366.31887

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(CC1C(=O)O)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)O.[Na+]

Isomeric SMILES

C1C(CC(CC1C(=O)O)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)O.[Na+]

InChI

InChI=1S/C14H15O8S.Na/c15-13(16)8-5-9(14(17)18)7-10(6-8)22-11-3-1-2-4-12(11)23(19,20)21;/h1,3-4,8-10H,5-7H2,(H,15,16)(H,17,18)(H,19,20,21);/q-1;+1