[4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 4-tert-butylbenzenesulfonate

Systemtic Name: [4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 4-tert-butylbenzenesulfonate Openeye Name: [4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [4-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [4-[(3-hydroxy-2-naphthoyl)amino]phenyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C27H25NO5S/c1-27(2,3)20-8-14-23(15-9-20)34(31,32)33-22-12-10-21(11-13-22)28-26(30)24-16-18-6-4-5-7-19(18)17-25(24)29/h4-17,29H,1-3H3,(H,28,30)