4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]chromen-2-one Openeye Name: 4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]chromen-2-one CAS Name: 4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]chromen-2-one Traditional Name: 4-methyl-7-[3-(1,4,7,16-tetraoxa-13,19-dithia-10,22-diazacyclotetracos-10-yl)propoxy]coumarin Formula: C29H46N2O7S2 MolecularWeight: 598.81474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCOCCOCCOCCNCCSCCOCCSCC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCOCCOCCOCCNCCSCCOCCSCC3

InChI

InChI=1S/C29H46N2O7S2/c1-25-23-29(32)38-28-24-26(3-4-27(25)28)37-10-2-7-31-8-12-34-14-16-35-15-13-33-11-5-30-6-19-39-21-17-36-18-22-40-20-9-31/h3-4,23-24,30H,2,5-22H2,1H3