5-[3-(3,5-ditert-butylphenyl)propanoylamino]naphthalene-1-sulfonic acid

Systemtic Name: 5-[3-(3,5-ditert-butylphenyl)propanoylamino]naphthalene-1-sulfonic acid Openeye Name: 5-[3-(3,5-ditert-butylphenyl)propanoylamino]naphthalene-1-sulfonic acid CAS Name: 5-[[3-(3,5-ditert-butylphenyl)-1-oxopropyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-[3-(3,5-ditert-butylphenyl)propanoylamino]naphthalene-1-sulfonic acid Traditional Name: 5-[3-(3,5-ditert-butylphenyl)propanoylamino]naphthalene-1-sulfonic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CCC(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CCC(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)C(C)(C)C

InChI

InChI=1S/C27H33NO4S/c1-26(2,3)19-15-18(16-20(17-19)27(4,5)6)13-14-25(29)28-23-11-7-10-22-21(23)9-8-12-24(22)33(30,31)32/h7-12,15-17H,13-14H2,1-6H3,(H,28,29)(H,30,31,32)