3-[[2,6-bis(bromanyl)-4-methylsulfonyl-phenyl]diazenyl]-2-octadecoxy-naphthalen-1-ol

Systemtic Name: 3-[[2,6-bis(bromanyl)-4-methylsulfonyl-phenyl]diazenyl]-2-octadecoxy-naphthalen-1-ol Openeye Name: 3-(2,6-dibromo-4-methylsulfonyl-phenyl)azo-2-octadecoxy-naphthalen-1-ol CAS Name: 3-(2,6-dibromo-4-methylsulfonylphenyl)azo-2-octadecoxy-1-naphthalenol IUPAC Name: 3-[(2,6-dibromo-4-methylsulfonylphenyl)diazenyl]-2-octadecoxynaphthalen-1-ol Traditional Name: 3-(2,6-dibromo-4-mesyl-phenyl)azo-2-stearyloxy-1-naphthol Formula: C35H48Br2N2O4S MolecularWeight: 752.63962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3Br)S(=O)(=O)C)Br)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3Br)S(=O)(=O)C)Br)O

InChI

InChI=1S/C35H48Br2N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-43-35-32(24-27-21-18-19-22-29(27)34(35)40)38-39-33-30(36)25-28(26-31(33)37)44(2,41)42/h18-19,21-22,24-26,40H,3-17,20,23H2,1-2H3