[5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-tris(oxidanylidene)-1,3-bis(sulfomethyl)-1,3-diazinan-5-ylidene]hexa-2,4-dienylidene]cyclohexen-1-yl]-2,4,6-tris(oxidanylidene)-3-(sulfomethyl)-1,3-diazinan-1-yl]methanesulfonic acid

Systemtic Name: [5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-tris(oxidanylidene)-1,3-bis(sulfomethyl)-1,3-diazinan-5-ylidene]hexa-2,4-dienylidene]cyclohexen-1-yl]-2,4,6-tris(oxidanylidene)-3-(sulfomethyl)-1,3-diazinan-1-yl]methanesulfonic acid Openeye Name: [5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-trioxo-1,3-bis(sulfomethyl)hexahydropyrimidin-5-ylidene]hexa-2,4-dienylidene]cyclohexen-1-yl]-2,4,6-trioxo-3-(sulfomethyl)hexahydropyrimidin-1-yl]methanesulfonic acid CAS Name: [5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-trioxo-1,3-bis(sulfomethyl)-1,3-diazinan-5-ylidene]hexa-2,4-dienylidene]-1-cyclohexenyl]-2,4,6-trioxo-3-(sulfomethyl)-1,3-diazinan-1-yl]methanesulfonic acid IUPAC Name: [5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-trioxo-1,3-bis(sulfomethyl)-1,3-diazinan-5-ylidene]hexa-2,4-dienylidene]cyclohexen-1-yl]-2,4,6-trioxo-3-(sulfomethyl)-1,3-diazinan-1-yl]methanesulfonic acid Traditional Name: [5-[(3E)-5,5-dimethyl-3-[(2E,4E)-6-[2,4,6-triketo-1,3-bis(sulfomethyl)hexahydropyrimidin-5-ylidene]hexa-2,4-dienylidene]cyclohexen-1-yl]-2,4,6-triketo-3-(sulfomethyl)hexahydropyrimidin-1-yl]methanesulfonic acid Formula: C26H30N4O18S4 MolecularWeight: 814.7924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=CC=CC=CC=C2C(=O)N(C(=O)N(C2=O)CS(=O)(=O)O)CS(=O)(=O)O)C1)C3C(=O)N(C(=O)N(C3=O)CS(=O)(=O)O)CS(=O)(=O)O)C

Isomeric SMILES

CC1(CC(=C/C(=C/C=C/C=C/C=C2C(=O)N(C(=O)N(C2=O)CS(=O)(=O)O)CS(=O)(=O)O)/C1)C3C(=O)N(C(=O)N(C3=O)CS(=O)(=O)O)CS(=O)(=O)O)C

InChI

InChI=1S/C26H30N4O18S4/c1-26(2)10-16(9-17(11-26)19-22(33)29(14-51(43,44)45)25(36)30(23(19)34)15-52(46,47)48)7-5-3-4-6-8-18-20(31)27(12-49(37,38)39)24(35)28(21(18)32)13-50(40,41)42/h3-9,19H,10-15H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b5-3+,6-4+,16-7-