3-[bis(phenylsulfonyl)methyl]-2-(4-methylphenyl)chromen-4-one

Systemtic Name: 3-[bis(phenylsulfonyl)methyl]-2-(4-methylphenyl)chromen-4-one Openeye Name: 3-[bis(benzenesulfonyl)methyl]-2-(p-tolyl)chromen-4-one CAS Name: 3-[bis(benzenesulfonyl)methyl]-2-(4-methylphenyl)-1-benzopyran-4-one IUPAC Name: 3-[bis(benzenesulfonyl)methyl]-2-(4-methylphenyl)chromen-4-one Traditional Name: 3-(dibesylmethyl)-2-(p-tolyl)chromone Formula: C29H22O6S2 MolecularWeight: 530.61138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H22O6S2/c1-20-16-18-21(19-17-20)28-26(27(30)24-14-8-9-15-25(24)35-28)29(36(31,32)22-10-4-2-5-11-22)37(33,34)23-12-6-3-7-13-23/h2-19,29H,1H3