5-(4,6,6-trimethyl-2-sulfanylidene-1,5-dihydropyrimidin-3-ium-3-yl)naphthalene-2-sulfonate

Systemtic Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1,5-dihydropyrimidin-3-ium-3-yl)naphthalene-2-sulfonate Openeye Name: 5-(4,6,6-trimethyl-2-thioxo-1,5-dihydropyrimidin-3-ium-3-yl)naphthalene-2-sulfonate CAS Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1,5-dihydropyrimidin-3-ium-3-yl)-2-naphthalenesulfonate IUPAC Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1,5-dihydropyrimidin-3-ium-3-yl)naphthalene-2-sulfonate Traditional Name: 5-(4,6,6-trimethyl-2-thioxo-1,5-dihydropyrimidin-3-ium-3-yl)naphthalene-2-sulfonate Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=S)NC(C1)(C)C)C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=S)NC(C1)(C)C)C2=CC=CC3=C2C=CC(=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18N2O3S2/c1-11-10-17(2,3)18-16(23)19(11)15-6-4-5-12-9-13(24(20,21)22)7-8-14(12)15/h4-9H,10H2,1-3H3,(H-,18,20,21,22,23)