disodium 3-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-1,4,6-trisulfonate

Systemtic Name: disodium 3-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-1,4,6-trisulfonate Openeye Name: disodium 3-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-1,4,6-trisulfonate CAS Name: disodium 3-[(4-dimethylaminophenyl)-(4-dimethyliminio-1-cyclohexa-2,5-dienylidene)methyl]naphthalene-1,4,6-trisulfonate IUPAC Name: disodium 3-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-1,4,6-trisulfonate Traditional Name: disodium 3-[(4-dimethylaminophenyl)-(4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]naphthalene-1,4,6-trisulfonate Formula: C27H24N2Na2O9S3 MolecularWeight: 662.662

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C4C=CC(=CC4=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC(=C4C=CC(=CC4=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C27H26N2O9S3.2Na/c1-28(2)19-9-5-17(6-10-19)26(18-7-11-20(12-8-18)29(3)4)24-16-25(40(33,34)35)22-14-13-21(39(30,31)32)15-23(22)27(24)41(36,37)38;;/h5-16H,1-4H3,(H2-,30,31,32,33,34,35,36,37,38);;/q;2*+1/p-2