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pentyl 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate

pentyl 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name:pentyl 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate
Openeye Name:pentyl 5-heptoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylate
CAS Name:5-heptoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid pentyl ester
IUPAC Name:pentyl 5-heptoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylate
Traditional Name:5-heptoxy-9-keto-7-mesyl-xanthene-2-carboxylic acid amyl ester
Formula: C27H34O7S
MolecularWeight: 502.61966
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC


Isomeric SMILES

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC


InChI

InChI=1S/C27H34O7S/c1-4-6-8-9-11-14-32-24-18-20(35(3,30)31)17-22-25(28)21-16-19(12-13-23(21)34-26(22)24)27(29)33-15-10-7-5-2/h12-13,16-18H,4-11,14-15H2,1-3H3


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