2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-4,5-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-4,5-dimethyl-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-3-hydroxy-4,5-dimethyl-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-3-hydroxy-4,5-dimethyl-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-3-hydroxy-4,5-dimethyl-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2,7-bis(2-dimethylaminoethylsulfonylamino)-3-hydroxy-6-keto-4,5-dimethyl-xanthen-9-yl]benzoic acid Formula: C30H36N4O9S2 MolecularWeight: 660.75824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)NS(=O)(=O)CCN(C)C)C(=C3C=C(C(=O)C(=C3O2)C)NS(=O)(=O)CCN(C)C)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1O)NS(=O)(=O)CCN(C)C)C(=C3C=C(C(=O)C(=C3O2)C)NS(=O)(=O)CCN(C)C)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C30H36N4O9S2/c1-17-26(35)23(31-44(39,40)13-11-33(3)4)15-21-25(19-9-7-8-10-20(19)30(37)38)22-16-24(32-45(41,42)14-12-34(5)6)27(36)18(2)29(22)43-28(17)21/h7-10,15-16,31-32,35H,11-14H2,1-6H3,(H,37,38)