6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)chromen-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-3-(3-sulfopropyl)-1,3-diazinan-1-yl]hexanoic acid

Systemtic Name: 6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)chromen-2-ylidene]ethylidene]-2,4,6-tris(oxidanylidene)-3-(3-sulfopropyl)-1,3-diazinan-1-yl]hexanoic acid Openeye Name: 6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)chromen-2-ylidene]ethylidene]-2,4,6-trioxo-3-(3-sulfopropyl)hexahydropyrimidin-1-yl]hexanoic acid CAS Name: 6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)-1-benzopyran-2-ylidene]ethylidene]-2,4,6-trioxo-3-(3-sulfopropyl)-1,3-diazinan-1-yl]hexanoic acid IUPAC Name: 6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)chromen-2-ylidene]ethylidene]-2,4,6-trioxo-3-(3-sulfopropyl)-1,3-diazinan-1-yl]hexanoic acid Traditional Name: 6-[(5Z)-5-[(2E)-2-[4-tert-butyl-7-(diethylamino)chromen-2-ylidene]ethylidene]-2,4,6-triketo-3-(3-sulfopropyl)hexahydropyrimidin-1-yl]hexanoic acid Formula: C32H43N3O9S MolecularWeight: 645.76352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=CC(=CC=C3C(=O)N(C(=O)N(C3=O)CCCS(=O)(=O)O)CCCCCC(=O)O)O2)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C/C(=C\C=C/3\C(=O)N(C(=O)N(C3=O)CCCS(=O)(=O)O)CCCCCC(=O)O)/O2)C(C)(C)C

InChI

InChI=1S/C32H43N3O9S/c1-6-33(7-2)22-13-15-24-26(32(3,4)5)21-23(44-27(24)20-22)14-16-25-29(38)34(17-10-8-9-12-28(36)37)31(40)35(30(25)39)18-11-19-45(41,42)43/h13-16,20-21H,6-12,17-19H2,1-5H3,(H,36,37)(H,41,42,43)/b23-14+,25-16-