2-[6-chloranyl-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoic acid

Systemtic Name: 2-[6-chloranyl-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoic acid Openeye Name: 2-[6-chloro-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propanoic acid CAS Name: 2-[6-chloro-9-(4-octylphenyl)sulfonyl-2-carbazolyl]propanoic acid IUPAC Name: 2-[6-chloro-9-(4-octylphenyl)sulfonylcarbazol-2-yl]propanoic acid Traditional Name: 2-[6-chloro-9-(4-octylphenyl)sulfonyl-carbazol-2-yl]propionic acid Formula: C29H32ClNO4S MolecularWeight: 526.08668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C2C=C(C=C4)C(C)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C2C=C(C=C4)C(C)C(=O)O

InChI

InChI=1S/C29H32ClNO4S/c1-3-4-5-6-7-8-9-21-10-14-24(15-11-21)36(34,35)31-27-17-13-23(30)19-26(27)25-16-12-22(18-28(25)31)20(2)29(32)33/h10-20H,3-9H2,1-2H3,(H,32,33)