3,4-didecoxy-8-[(E)-hex-3-enoxy]chromen-2-one

Systemtic Name: 3,4-didecoxy-8-[(E)-hex-3-enoxy]chromen-2-one Openeye Name: 3,4-didecoxy-8-[(E)-hex-3-enoxy]chromen-2-one CAS Name: 3,4-didecoxy-8-[(E)-hex-3-enoxy]-1-benzopyran-2-one IUPAC Name: 3,4-didecoxy-8-[(E)-hex-3-enoxy]chromen-2-one Traditional Name: 3,4-didecoxy-8-[(E)-hex-3-enoxy]coumarin Formula: C35H56O5 MolecularWeight: 556.81614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2OCCC=CCC)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=O)OC2=C1C=CC=C2OCC/C=C/CC)OCCCCCCCCCC

InChI

InChI=1S/C35H56O5/c1-4-7-10-13-15-17-19-22-28-38-33-30-25-24-26-31(37-27-21-12-9-6-3)32(30)40-35(36)34(33)39-29-23-20-18-16-14-11-8-5-2/h9,12,24-26H,4-8,10-11,13-23,27-29H2,1-3H3/b12-9+