3-methyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid

Systemtic Name: 3-methyl-1-oxidanylidene-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Openeye Name: 3-methyl-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid CAS Name: 3-methyl-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid IUPAC Name: 3-methyl-1-oxo-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Traditional Name: 1-keto-3-methyl-5,6-dihydro-4H-benzo[f]quinazoline-9-sulfinic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)CCC3=C2C=C(C=C3)S(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)CCC3=C2C=C(C=C3)S(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-7-14-11-5-3-8-2-4-9(19(17)18)6-10(8)12(11)13(16)15-7/h2,4,6H,3,5H2,1H3,(H,17,18)(H,14,15,16)