4-azanylidene-1,4-bis[2-(7-azanyl-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyloxy]-1-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 4-azanylidene-1,4-bis[2-(7-azanyl-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyloxy]-1-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1,4-bis[[2-(7-amino-4-methyl-2-oxo-chromen-3-yl)acetyl]oxy]-4-imino-1-oxo-butane-2-sulfonic acid CAS Name: 1,4-bis[2-(7-amino-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethoxy]-4-imino-1-oxo-2-butanesulfonic acid IUPAC Name: 1,4-bis[[2-(7-amino-4-methyl-2-oxochromen-3-yl)acetyl]oxy]-4-imino-1-oxobutane-2-sulfonic acid Traditional Name: 1,4-bis[[2-(7-amino-2-keto-4-methyl-chromen-3-yl)acetyl]oxy]-4-imino-1-keto-butane-2-sulfonic acid Formula: C28H25N3O12S MolecularWeight: 627.576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)OC(=N)CC(C(=O)OC(=O)CC3=C(C4=C(C=C(C=C4)N)OC3=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)OC(=N)CC(C(=O)OC(=O)CC3=C(C4=C(C=C(C=C4)N)OC3=O)C)S(=O)(=O)O

InChI

InChI=1S/C28H25N3O12S/c1-12-16-5-3-14(29)7-20(16)40-26(34)18(12)9-24(32)42-23(31)11-22(44(37,38)39)28(36)43-25(33)10-19-13(2)17-6-4-15(30)8-21(17)41-27(19)35/h3-8,22,31H,9-11,29-30H2,1-2H3,(H,37,38,39)