5-[1,3-bis(oxidanylidene)-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl]pentyl prop-2-enoate

Systemtic Name: 5-[1,3-bis(oxidanylidene)-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl]pentyl prop-2-enoate Openeye Name: 5-(1,3-dioxo-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl)pentyl prop-2-enoate CAS Name: 2-propenoic acid 5-[1,3-dioxo-6-(undecylthio)-2-benzo[de]isoquinolinyl]pentyl ester IUPAC Name: 5-(1,3-dioxo-6-undecylsulfanylbenzo[de]isoquinolin-2-yl)pentyl prop-2-enoate Traditional Name: acrylic acid 5-[1,3-diketo-6-(undecylthio)benzo[de]isoquinolin-2-yl]pentyl ester Formula: C31H41NO4S MolecularWeight: 523.72654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCCOC(=O)C=C

Isomeric SMILES

CCCCCCCCCCCSC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCCCOC(=O)C=C

InChI

InChI=1S/C31H41NO4S/c1-3-5-6-7-8-9-10-11-15-23-37-27-20-19-26-29-24(27)17-16-18-25(29)30(34)32(31(26)35)21-13-12-14-22-36-28(33)4-2/h4,16-20H,2-3,5-15,21-23H2,1H3