3,10-bis(azanyl)-6,13-bis(chloranyl)-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid

Systemtic Name: 3,10-bis(azanyl)-6,13-bis(chloranyl)-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid Openeye Name: 3,10-diamino-6,13-dichloro-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid CAS Name: 3,10-diamino-6,13-dichloro-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid IUPAC Name: 3,10-diamino-6,13-dichloro-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid Traditional Name: 3,10-diamino-6,13-dichloro-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid Formula: C18H12Cl2N4O8S2 MolecularWeight: 547.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1N)S(=O)(=O)O)OC3=C(N2)C(=C4C(=C3Cl)NC5=C(O4)C(=C(C=C5)N)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C(=C1N)S(=O)(=O)O)OC3=C(N2)C(=C4C(=C3Cl)NC5=C(O4)C(=C(C=C5)N)S(=O)(=O)O)Cl

InChI

InChI=1S/C18H12Cl2N4O8S2/c19-9-11-15(31-13-7(23-11)3-1-5(21)17(13)33(25,26)27)10(20)12-16(9)32-14-8(24-12)4-2-6(22)18(14)34(28,29)30/h1-4,23-24H,21-22H2,(H,25,26,27)(H,28,29,30)