[3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Systemtic Name: [3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate Openeye Name: [3-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate CAS Name: 2-naphthalenesulfonic acid [3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate Traditional Name: naphthalene-2-sulfonic acid [3-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C21H14N2O5S2 MolecularWeight: 438.47626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC(=C3)C=C4C(=O)NC(=S)NC4=O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)OC3=CC=CC(=C3)C=C4C(=O)NC(=S)NC4=O

InChI

InChI=1S/C21H14N2O5S2/c24-19-18(20(25)23-21(29)22-19)11-13-4-3-7-16(10-13)28-30(26,27)17-9-8-14-5-1-2-6-15(14)12-17/h1-12H,(H2,22,23,24,25,29)