azane; 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfo-naphthalene-2-sulfonate

Systemtic Name: azane; 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfo-naphthalene-2-sulfonate Openeye Name: ammonia; 4-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfo-naphthalene-2-sulfonate CAS Name: ammonia; 4-[[4-(diethylamino)phenyl]-(4-diethyliminio-1-cyclohexa-2,5-dienylidene)methyl]-6-sulfo-2-naphthalenesulfonate IUPAC Name: azane; 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfonaphthalene-2-sulfonate Traditional Name: ammonia; 4-[[4-(diethylamino)phenyl]-(4-diethyliminiocyclohexa-2,5-dien-1-ylidene)methyl]-6-sulfo-naphthalene-2-sulfonate Formula: C31H37N3O6S2 MolecularWeight: 611.77198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O6S2.H3N/c1-5-32(6-2)25-14-9-22(10-15-25)31(23-11-16-26(17-12-23)33(7-3)8-4)30-21-28(41(37,38)39)19-24-13-18-27(20-29(24)30)40(34,35)36;/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39);1H3