[[4-(2-naphthalen-1-ylethanoyldiazenyl)phenyl]amino] 4-propan-2-ylbenzenesulfonate

Systemtic Name: [[4-(2-naphthalen-1-ylethanoyldiazenyl)phenyl]amino] 4-propan-2-ylbenzenesulfonate Openeye Name: [4-[2-(1-naphthyl)acetyl]azoanilino] 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid [4-[2-(1-naphthalenyl)-1-oxoethyl]azoanilino] ester IUPAC Name: [4-[(2-naphthalen-1-ylacetyl)diazenyl]anilino] 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid [4-[2-(1-naphthyl)acetyl]azoanilino] ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)ONC2=CC=C(C=C2)N=NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)ONC2=CC=C(C=C2)N=NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H25N3O4S/c1-19(2)20-10-16-25(17-11-20)35(32,33)34-30-24-14-12-23(13-15-24)28-29-27(31)18-22-8-5-7-21-6-3-4-9-26(21)22/h3-17,19,30H,18H2,1-2H3