[(E,4E)-4-[3,3-dimethyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)-5-sulfo-indol-2-ylidene]but-2-enylidene]-ethanoyl-phenyl-azanium

Systemtic Name: [(E,4E)-4-[3,3-dimethyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)-5-sulfo-indol-2-ylidene]but-2-enylidene]-ethanoyl-phenyl-azanium Openeye Name: acetyl-[(E,4E)-4-[1-(6-hydroxy-6-oxo-hexyl)-3,3-dimethyl-5-sulfo-indolin-2-ylidene]but-2-enylidene]-phenyl-ammonium CAS Name: acetyl-[(E,4E)-4-[1-(6-hydroxy-6-oxohexyl)-3,3-dimethyl-5-sulfo-2-indolylidene]but-2-enylidene]-phenylammonium IUPAC Name: acetyl-[(E,4E)-4-[1-(6-hydroxy-6-oxohexyl)-3,3-dimethyl-5-sulfoindol-2-ylidene]but-2-enylidene]-phenylazanium Traditional Name: acetyl-[(E,4E)-4-[1-(6-hydroxy-6-keto-hexyl)-3,3-dimethyl-5-sulfo-indolin-2-ylidene]but-2-enylidene]-phenyl-ammonium Formula: C28H33N2O6S+ MolecularWeight: 525.63642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](=CC=CC=C1C(C2=C(N1CCCCCC(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[N+](=C/C=C/C=C/1\C(C2=C(N1CCCCCC(=O)O)C=CC(=C2)S(=O)(=O)O)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H32N2O6S/c1-21(31)29(22-12-6-4-7-13-22)18-11-9-14-26-28(2,3)24-20-23(37(34,35)36)16-17-25(24)30(26)19-10-5-8-15-27(32)33/h4,6-7,9,11-14,16-18,20H,5,8,10,15,19H2,1-3H3,(H-,32,33,34,35,36)/p+1