4-[4-[(3-methyl-4-oxidanylidene-chromen-2-yl)sulfanylmethyl]phenyl]butyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-[(3-methyl-4-oxidanylidene-chromen-2-yl)sulfanylmethyl]phenyl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[4-[(3-methyl-4-oxo-chromen-2-yl)sulfanylmethyl]phenyl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-[[(3-methyl-4-oxo-1-benzopyran-2-yl)thio]methyl]phenyl]butyl ester IUPAC Name: 4-[4-[(3-methyl-4-oxochromen-2-yl)sulfanylmethyl]phenyl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-[[(4-keto-3-methyl-chromen-2-yl)thio]methyl]phenyl]butyl ester Formula: C28H28O5S2 MolecularWeight: 508.64892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)CSC3=C(C(=O)C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC=C(C=C2)CSC3=C(C(=O)C4=CC=CC=C4O3)C

InChI

InChI=1S/C28H28O5S2/c1-20-10-16-24(17-11-20)35(30,31)32-18-6-5-7-22-12-14-23(15-13-22)19-34-28-21(2)27(29)25-8-3-4-9-26(25)33-28/h3-4,8-17H,5-7,18-19H2,1-2H3