5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid

Systemtic Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid Openeye Name: 5-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid CAS Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid IUPAC Name: 5-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid Traditional Name: 5-(4,6,6-trimethyl-2-thioxo-1H-pyrimidin-3-yl)naphthalene-1,3-disulfonic acid Formula: C17H18N2O6S3 MolecularWeight: 442.52962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1C2=CC=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1C2=CC=CC3=C(C=C(C=C32)S(=O)(=O)O)S(=O)(=O)O)(C)C

InChI

InChI=1S/C17H18N2O6S3/c1-10-9-17(2,3)18-16(26)19(10)14-6-4-5-12-13(14)7-11(27(20,21)22)8-15(12)28(23,24)25/h4-9H,1-3H3,(H,18,26)(H,20,21,22)(H,23,24,25)