None
AlkaPlorer ID: AK319323
Synonym: None
IUPAC Name: 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
Structure
SMILES: CCN(CC1=CC(S(=O)(=O)[O-])=CC=C1)C1=CC=C(C(=C2C=CC(=[N+](CC)CC3=CC(S(=O)(=O)[O-])=CC=C3)C=C2)C2=CC=CC=C2Cl)C=C1
InChI: InChI=1S/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)/p-1
InChIKey: KZMRYBLIGYQPPP-UHFFFAOYSA-M
Source
Properties Information
Molecule Weight: 702.2740000000003
TPSA？: 120.65
MolLogP？: 6.776200000000008
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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