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

Systemtic Name: 5-[1,3-bis(oxidanylidene)-6-tridecylsulfonyl-benzo[de]isoquinolin-2-yl]pentyl prop-2-enoate Openeye Name: 5-(1,3-dioxo-6-tridecylsulfonyl-benzo[de]isoquinolin-2-yl)pentyl prop-2-enoate CAS Name: 2-propenoic acid 5-(1,3-dioxo-6-tridecylsulfonyl-2-benzo[de]isoquinolinyl)pentyl ester IUPAC Name: 5-(1,3-dioxo-6-tridecylsulfonylbenzo[de]isoquinolin-2-yl)pentyl prop-2-enoate Traditional Name: acrylic acid 5-(1,3-diketo-6-tridecylsulfonyl-benzo[de]isoquinolin-2-yl)pentyl ester Formula: C33H45NO6S MolecularWeight: 583.7785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO6S/c1-3-5-6-7-8-9-10-11-12-13-17-25-41(38,39)29-22-21-28-31-26(29)19-18-20-27(31)32(36)34(33(28)37)23-15-14-16-24-40-30(35)4-2/h4,18-22H,2-3,5-17,23-25H2,1H3