sodium 7-methyl-9-oxidanylidene-5-propan-2-yl-thioxanthene-2-carboxylate

Systemtic Name: sodium 7-methyl-9-oxidanylidene-5-propan-2-yl-thioxanthene-2-carboxylate Openeye Name: sodium 5-isopropyl-7-methyl-9-oxo-thioxanthene-2-carboxylate CAS Name: sodium 7-methyl-9-oxo-5-propan-2-yl-2-thioxanthenecarboxylate IUPAC Name: sodium 7-methyl-9-oxo-5-propan-2-ylthioxanthene-2-carboxylate Traditional Name: sodium 5-isopropyl-9-keto-7-methyl-thioxanthene-2-carboxylate Formula: C18H15NaO3S MolecularWeight: 334.36467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(=O)[O-])C(C)C.[Na+]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(=O)[O-])C(C)C.[Na+]

InChI

InChI=1S/C18H16O3S.Na/c1-9(2)12-6-10(3)7-14-16(19)13-8-11(18(20)21)4-5-15(13)22-17(12)14;/h4-9H,1-3H3,(H,20,21);/q;+1/p-1