3,3-disulfopropyl-dimethyl-[2-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]azanium

Systemtic Name: 3,3-disulfopropyl-dimethyl-[2-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]azanium Openeye Name: 3,3-disulfopropyl-dimethyl-[2-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]ammonium CAS Name: 3,3-disulfopropyl-dimethyl-[2-(3-methylene-1-cyclohexa-1,4-dienyl)phenyl]ammonium IUPAC Name: 3,3-disulfopropyl-dimethyl-[2-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]azanium Traditional Name: 3,3-disulfopropyl-dimethyl-[2-(3-methylenecyclohexa-1,4-dien-1-yl)phenyl]ammonium Formula: C18H24NO6S2+ MolecularWeight: 414.51626

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(S(=O)(=O)O)S(=O)(=O)O)C1=CC=CC=C1C2=CC(=C)C=CC2

Isomeric SMILES

C[N+](C)(CCC(S(=O)(=O)O)S(=O)(=O)O)C1=CC=CC=C1C2=CC(=C)C=CC2

InChI

InChI=1S/C18H23NO6S2/c1-14-7-6-8-15(13-14)16-9-4-5-10-17(16)19(2,3)12-11-18(26(20,21)22)27(23,24)25/h4-7,9-10,13,18H,1,8,11-12H2,2-3H3,(H-,20,21,22,23,24,25)/p+1