2-[6-(decanoylamino)hexanoyl]-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-[6-(decanoylamino)hexanoyl]-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-[6-(decanoylamino)hexanoyl]-6-(2-hydroxy-4-methoxy-benzoyl)benzenesulfonic acid CAS Name: 2-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-6-[1-oxo-6-(1-oxodecylamino)hexyl]benzenesulfonic acid IUPAC Name: 2-[6-(decanoylamino)hexanoyl]-6-(2-hydroxy-4-methoxybenzoyl)benzenesulfonic acid Traditional Name: 2-[6-(caprylamino)hexanoyl]-6-(2-hydroxy-4-methoxy-benzoyl)besylic acid Formula: C30H41NO8S MolecularWeight: 575.71344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCCCCC(=O)C1=CC=CC(=C1S(=O)(=O)O)C(=O)C2=C(C=C(C=C2)OC)O

Isomeric SMILES

CCCCCCCCCC(=O)NCCCCCC(=O)C1=CC=CC(=C1S(=O)(=O)O)C(=O)C2=C(C=C(C=C2)OC)O

InChI

InChI=1S/C30H41NO8S/c1-3-4-5-6-7-8-11-17-28(34)31-20-12-9-10-16-26(32)24-14-13-15-25(30(24)40(36,37)38)29(35)23-19-18-22(39-2)21-27(23)33/h13-15,18-19,21,33H,3-12,16-17,20H2,1-2H3,(H,31,34)(H,36,37,38)