pentyl 5-(heptoxymethylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: pentyl 5-(heptoxymethylsulfonyl)-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5-(heptoxymethylsulfonyl)-9-oxo-xanthene-2-carboxylate CAS Name: 5-(heptoxymethylsulfonyl)-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-(heptoxymethylsulfonyl)-9-oxoxanthene-2-carboxylate Traditional Name: 5-(heptoxymethylsulfonyl)-9-keto-xanthene-2-carboxylic acid amyl ester Formula: C27H34O7S MolecularWeight: 502.61966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCS(=O)(=O)C1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)OCCCCC

Isomeric SMILES

CCCCCCCOCS(=O)(=O)C1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)OCCCCC

InChI

InChI=1S/C27H34O7S/c1-3-5-7-8-10-16-32-19-35(30,31)24-13-11-12-21-25(28)22-18-20(14-15-23(22)34-26(21)24)27(29)33-17-9-6-4-2/h11-15,18H,3-10,16-17,19H2,1-2H3