2-methoxy-5-[4-methoxy-5-[5-octadecoxy-2-(phenylcarbonyl)phenoxy]sulfonyl-2-oxidanyl-phenyl]carbonyl-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[4-methoxy-5-[5-octadecoxy-2-(phenylcarbonyl)phenoxy]sulfonyl-2-oxidanyl-phenyl]carbonyl-4-oxidanyl-benzenesulfonic acid Openeye Name: 5-[5-(2-benzoyl-5-octadecoxy-phenoxy)sulfonyl-2-hydroxy-4-methoxy-benzoyl]-4-hydroxy-2-methoxy-benzenesulfonic acid CAS Name: 5-[[5-(2-benzoyl-5-octadecoxyphenoxy)sulfonyl-2-hydroxy-4-methoxyphenyl]-oxomethyl]-4-hydroxy-2-methoxybenzenesulfonic acid IUPAC Name: 5-[5-(2-benzoyl-5-octadecoxyphenoxy)sulfonyl-2-hydroxy-4-methoxybenzoyl]-4-hydroxy-2-methoxybenzenesulfonic acid Traditional Name: 5-[5-(2-benzoyl-5-stearyloxy-phenoxy)sulfonyl-2-hydroxy-4-methoxy-benzoyl]-4-hydroxy-2-methoxy-besylic acid Formula: C46H58O13S2 MolecularWeight: 883.07492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)C4=CC(=C(C=C4O)OC)S(=O)(=O)O)O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)C4=CC(=C(C=C4O)OC)S(=O)(=O)O)O)OC

InChI

InChI=1S/C46H58O13S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-58-34-25-26-35(45(49)33-23-20-19-21-24-33)40(28-34)59-61(54,55)44-30-37(39(48)32-42(44)57-3)46(50)36-29-43(60(51,52)53)41(56-2)31-38(36)47/h19-21,23-26,28-32,47-48H,4-18,22,27H2,1-3H3,(H,51,52,53)