8-(9-carboxy-4-methoxycarbonyl-phenazin-2-yl)sulfanyl-6-methoxycarbonyl-9-oxidanylidene-5H-phenazine-1-carboxylic acid

Systemtic Name: 8-(9-carboxy-4-methoxycarbonyl-phenazin-2-yl)sulfanyl-6-methoxycarbonyl-9-oxidanylidene-5H-phenazine-1-carboxylic acid Openeye Name: 8-(9-carboxy-4-methoxycarbonyl-phenazin-2-yl)sulfanyl-6-methoxycarbonyl-9-oxo-5H-phenazine-1-carboxylic acid CAS Name: 8-[(9-carboxy-4-methoxycarbonyl-2-phenazinyl)thio]-6-methoxycarbonyl-9-oxo-5H-phenazine-1-carboxylic acid IUPAC Name: 8-(9-carboxy-4-methoxycarbonylphenazin-2-yl)sulfanyl-6-methoxycarbonyl-9-oxo-5H-phenazine-1-carboxylic acid Traditional Name: 6-carbomethoxy-8-[(4-carbomethoxy-9-carboxy-phenazin-2-yl)thio]-9-keto-5H-phenazine-1-carboxylic acid Formula: C30H18N4O9S MolecularWeight: 610.55032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=NC3=C(C=CC=C3N=C12)C(=O)O)SC4=CC(=C5C(=NC6=C(C=CC=C6N5)C(=O)O)C4=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC2=NC3=C(C=CC=C3N=C12)C(=O)O)SC4=CC(=C5C(=NC6=C(C=CC=C6N5)C(=O)O)C4=O)C(=O)OC

InChI

InChI=1S/C30H18N4O9S/c1-42-29(40)15-9-12(10-19-23(15)31-17-7-3-5-13(27(36)37)21(17)33-19)44-20-11-16(30(41)43-2)24-25(26(20)35)34-22-14(28(38)39)6-4-8-18(22)32-24/h3-11,32H,1-2H3,(H,36,37)(H,38,39)