2-[4-oxidanylidene-5-(5-quinazolin-4-yloxypentoxy)pyran-2-yl]ethanesulfonic acid

Systemtic Name: 2-[4-oxidanylidene-5-(5-quinazolin-4-yloxypentoxy)pyran-2-yl]ethanesulfonic acid Openeye Name: 2-[4-oxo-5-(5-quinazolin-4-yloxypentoxy)pyran-2-yl]ethanesulfonic acid CAS Name: 2-[4-oxo-5-[5-(4-quinazolinyloxy)pentoxy]-2-pyranyl]ethanesulfonic acid IUPAC Name: 2-[4-oxo-5-(5-quinazolin-4-yloxypentoxy)pyran-2-yl]ethanesulfonic acid Traditional Name: 2-[4-keto-5-(5-quinazolin-4-yloxypentoxy)pyran-2-yl]ethanesulfonic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)OCCCCCOC3=COC(=CC3=O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)OCCCCCOC3=COC(=CC3=O)CCS(=O)(=O)O

InChI

InChI=1S/C20H22N2O7S/c23-18-12-15(8-11-30(24,25)26)29-13-19(18)27-9-4-1-5-10-28-20-16-6-2-3-7-17(16)21-14-22-20/h2-3,6-7,12-14H,1,4-5,8-11H2,(H,24,25,26)