4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfo-phenyl)but-1-en-3-ynyl]-2-phenyl-benzenesulfonic acid

Systemtic Name: 4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfo-phenyl)but-1-en-3-ynyl]-2-phenyl-benzenesulfonic acid Openeye Name: 4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfo-phenyl)but-1-en-3-ynyl]-2-phenyl-benzenesulfonic acid CAS Name: 4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfophenyl)but-1-en-3-ynyl]-2-phenylbenzenesulfonic acid IUPAC Name: 4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfophenyl)but-1-en-3-ynyl]-2-phenylbenzenesulfonic acid Traditional Name: 4-methyl-3-[(E)-4-(6-methyl-2-phenyl-3-sulfo-phenyl)but-1-en-3-ynyl]-2-phenyl-besylic acid Formula: C30H24O6S2 MolecularWeight: 544.63796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)O)C2=CC=CC=C2)C=CC#CC3=C(C=CC(=C3C4=CC=CC=C4)S(=O)(=O)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)O)C2=CC=CC=C2)/C=C/C#CC3=C(C=CC(=C3C4=CC=CC=C4)S(=O)(=O)O)C

InChI

InChI=1S/C30H24O6S2/c1-21-17-19-27(37(31,32)33)29(23-11-5-3-6-12-23)25(21)15-9-10-16-26-22(2)18-20-28(38(34,35)36)30(26)24-13-7-4-8-14-24/h3-9,11-15,17-20H,1-2H3,(H,31,32,33)(H,34,35,36)/b15-9+