2-azanyl-5-[[7-azanyl-1,4-bis(chloranyl)-9-methoxy-2-oxidanylidene-6-sulfo-10H-phenoxazin-3-ylidene]amino]benzene-1,3-disulfonic acid

Systemtic Name: 2-azanyl-5-[[7-azanyl-1,4-bis(chloranyl)-9-methoxy-2-oxidanylidene-6-sulfo-10H-phenoxazin-3-ylidene]amino]benzene-1,3-disulfonic acid Openeye Name: 2-amino-5-[(7-amino-1,4-dichloro-9-methoxy-2-oxo-6-sulfo-10H-phenoxazin-3-ylidene)amino]benzene-1,3-disulfonic acid CAS Name: 2-amino-5-[(7-amino-1,4-dichloro-9-methoxy-2-oxo-6-sulfo-10H-phenoxazin-3-ylidene)amino]benzene-1,3-disulfonic acid IUPAC Name: 2-amino-5-[(7-amino-1,4-dichloro-9-methoxy-2-oxo-6-sulfo-10H-phenoxazin-3-ylidene)amino]benzene-1,3-disulfonic acid Traditional Name: 2-amino-5-[(7-amino-1,4-dichloro-2-keto-9-methoxy-6-sulfo-10H-phenoxazin-3-ylidene)amino]benzene-1,3-disulfonic acid Formula: C19H14Cl2N4O12S3 MolecularWeight: 657.43506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)N)S(=O)(=O)O)OC3=C(C(=NC4=CC(=C(C(=C4)S(=O)(=O)O)N)S(=O)(=O)O)C(=O)C(=C3N2)Cl)Cl

Isomeric SMILES

COC1=C2C(=C(C(=C1)N)S(=O)(=O)O)OC3=C(C(=NC4=CC(=C(C(=C4)S(=O)(=O)O)N)S(=O)(=O)O)C(=O)C(=C3N2)Cl)Cl

InChI

InChI=1S/C19H14Cl2N4O12S3/c1-36-7-4-6(22)19(40(33,34)35)18-13(7)25-15-10(20)16(26)14(11(21)17(15)37-18)24-5-2-8(38(27,28)29)12(23)9(3-5)39(30,31)32/h2-4,25H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)