1-[4-[(3-methyl-4-oxidanylidene-chromen-2-yl)sulfanylmethyl]phenoxy]propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-[4-[(3-methyl-4-oxidanylidene-chromen-2-yl)sulfanylmethyl]phenoxy]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-[4-[(3-methyl-4-oxo-chromen-2-yl)sulfanylmethyl]phenoxy]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[4-[[(3-methyl-4-oxo-1-benzopyran-2-yl)thio]methyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[(3-methyl-4-oxochromen-2-yl)sulfanylmethyl]phenoxy]propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[4-[[(4-keto-3-methyl-chromen-2-yl)thio]methyl]phenoxy]-1-methyl-ethyl] ester Formula: C27H26O6S2 MolecularWeight: 510.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COC2=CC=C(C=C2)CSC3=C(C(=O)C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COC2=CC=C(C=C2)CSC3=C(C(=O)C4=CC=CC=C4O3)C

InChI

InChI=1S/C27H26O6S2/c1-18-8-14-23(15-9-18)35(29,30)33-19(2)16-31-22-12-10-21(11-13-22)17-34-27-20(3)26(28)24-6-4-5-7-25(24)32-27/h4-15,19H,16-17H2,1-3H3