[2-ethanoyl-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate

Systemtic Name: [2-ethanoyl-1,10,11,12a-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl] propanoate Openeye Name: (2-acetyl-1,10,11,12a-tetrahydroxy-3,12-dioxo-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl) propanoate CAS Name: propanoic acid (2-acetyl-1,10,11,12a-tetrahydroxy-3,12-dioxo-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl) ester IUPAC Name: (2-acetyl-1,10,11,12a-tetrahydroxy-3,12-dioxo-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl) propanoate Traditional Name: propionic acid (2-acetyl-1,10,11,12a-tetrahydroxy-3,12-diketo-6-phenethyl-4a,5,5a,6-tetrahydro-4H-tetracen-5-yl) ester Formula: C31H30O9 MolecularWeight: 546.5645

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C2CC(=O)C(=C(C2(C(=O)C3=C(C4=C(C=CC=C4O)C(C13)CCC5=CC=CC=C5)O)O)O)C(=O)C

Isomeric SMILES

CCC(=O)OC1C2CC(=O)C(=C(C2(C(=O)C3=C(C4=C(C=CC=C4O)C(C13)CCC5=CC=CC=C5)O)O)O)C(=O)C

InChI

InChI=1S/C31H30O9/c1-3-22(35)40-28-19-14-21(34)23(15(2)32)29(37)31(19,39)30(38)26-25(28)18(13-12-16-8-5-4-6-9-16)17-10-7-11-20(33)24(17)27(26)36/h4-11,18-19,25,28,33,36-37,39H,3,12-14H2,1-2H3