(E)-3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-propyl-hex-1-ene-1-sulfonic acid

Systemtic Name: (E)-3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-propyl-hex-1-ene-1-sulfonic acid Openeye Name: (E)-3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-propyl-hex-1-ene-1-sulfonic acid CAS Name: (E)-3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-3-propyl-1-hexene-1-sulfonic acid IUPAC Name: (E)-3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-propylhex-1-ene-1-sulfonic acid Traditional Name: (E)-3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-3-propyl-hex-1-ene-1-sulfonic acid Formula: C28H32ClNO4S2 MolecularWeight: 546.14098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C=CS(=O)(=O)O)N

Isomeric SMILES

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(/C=C/S(=O)(=O)O)N

InChI

InChI=1S/C28H32ClNO4S2/c1-2-15-28(30,17-18-36(31,32)33)16-7-10-23-13-14-26(20-27(23)29)35-25-12-6-11-24(19-25)34-21-22-8-4-3-5-9-22/h3-6,8-9,11-14,17-20H,2,7,10,15-16,21,30H2,1H3,(H,31,32,33)/b18-17+