6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 6-([1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(C1)CC2=COC3=C(O2)C4=CN=CN=C4C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C(C1)CC2=COC3=C(O2)C4=CN=CN=C4C=C3)S(=O)(=O)O

InChI

InChI=1S/C18H16N2O5S/c1-11-2-5-17(26(21,22)23)12(6-11)7-13-9-24-16-4-3-15-14(18(16)25-13)8-19-10-20-15/h2-5,8-10,12H,6-7H2,1H3,(H,21,22,23)