disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-hydroxy-naphthalene-2,7-disulfonate CAS Name: disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-hydroxynaphthalene-2,7-disulfonate IUPAC Name: disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-hydroxynaphthalene-2,7-disulfonate Traditional Name: disodium 4-[bis(4-dimethylaminophenyl)methyl]-3-hydroxy-naphthalene-2,7-disulfonate Formula: C27H26N2Na2O7S2 MolecularWeight: 600.61408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H28N2O7S2.2Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;;/h5-16,25,30H,1-4H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2