disodium 4,6-bis(oxidanylidene)-10-propyl-thiopyrano[3,2-g]chromene-2,8-dicarboxylate

Systemtic Name: disodium 4,6-bis(oxidanylidene)-10-propyl-thiopyrano[3,2-g]chromene-2,8-dicarboxylate Openeye Name: disodium 4,6-dioxo-10-propyl-thiopyrano[3,2-g]chromene-2,8-dicarboxylate CAS Name: disodium 4,6-dioxo-10-propylthiopyrano[3,2-g][1]benzopyran-2,8-dicarboxylate IUPAC Name: disodium 4,6-dioxo-10-propylthiopyrano[3,2-g]chromene-2,8-dicarboxylate Traditional Name: disodium 4,6-diketo-10-propyl-thiopyrano[3,2-g]chromene-2,8-dicarboxylate Formula: C17H10Na2O7S MolecularWeight: 404.30164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1SC(=CC3=O)C(=O)[O-])C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1SC(=CC3=O)C(=O)[O-])C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H12O7S.2Na/c1-2-3-7-14-8(10(18)5-12(24-14)16(20)21)4-9-11(19)6-13(17(22)23)25-15(7)9;;/h4-6H,2-3H2,1H3,(H,20,21)(H,22,23);;/q;2*+1/p-2