4-[1,3-bis(oxidanylidene)-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl]butyl prop-2-enoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl]butyl prop-2-enoate Openeye Name: 4-(1,3-dioxo-6-undecylsulfanyl-benzo[de]isoquinolin-2-yl)butyl prop-2-enoate CAS Name: 2-propenoic acid 4-[1,3-dioxo-6-(undecylthio)-2-benzo[de]isoquinolinyl]butyl ester IUPAC Name: 4-(1,3-dioxo-6-undecylsulfanylbenzo[de]isoquinolin-2-yl)butyl prop-2-enoate Traditional Name: acrylic acid 4-[1,3-diketo-6-(undecylthio)benzo[de]isoquinolin-2-yl]butyl ester Formula: C30H39NO4S MolecularWeight: 509.69996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO4S/c1-3-5-6-7-8-9-10-11-14-22-36-26-19-18-25-28-23(26)16-15-17-24(28)29(33)31(30(25)34)20-12-13-21-35-27(32)4-2/h4,15-19H,2-3,5-14,20-22H2,1H3