[4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)-4-oxidanyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)-4-oxidanyl-butyl] 4-methylbenzenesulfonate Openeye Name: [4-hydroxy-4-(3-methyl-4-oxo-2-phenyl-chromen-8-yl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-hydroxy-4-(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)butyl] ester IUPAC Name: [4-hydroxy-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-hydroxy-4-(4-keto-3-methyl-2-phenyl-chromen-8-yl)butyl] ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4)O

InChI

InChI=1S/C27H26O6S/c1-18-13-15-21(16-14-18)34(30,31)32-17-7-12-24(28)22-10-6-11-23-25(29)19(2)26(33-27(22)23)20-8-4-3-5-9-20/h3-6,8-11,13-16,24,28H,7,12,17H2,1-2H3