3-(2-anthracen-9-ylsulfanylethyl)-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-(2-anthracen-9-ylsulfanylethyl)-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-[2-(9-anthrylsulfanyl)ethyl]-5-benzyl-2-methoxy-1,4-benzoquinone CAS Name: 3-[2-(9-anthracenylthio)ethyl]-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-(2-anthracen-9-ylsulfanylethyl)-5-benzyl-2-methoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 3-[2-(9-anthrylthio)ethyl]-5-benzyl-2-methoxy-p-benzoquinone Formula: C30H24O3S MolecularWeight: 464.57476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=CC1=O)CC2=CC=CC=C2)CCSC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

COC1=C(C(=O)C(=CC1=O)CC2=CC=CC=C2)CCSC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C30H24O3S/c1-33-29-26(28(32)23(19-27(29)31)17-20-9-3-2-4-10-20)15-16-34-30-24-13-7-5-11-21(24)18-22-12-6-8-14-25(22)30/h2-14,18-19H,15-17H2,1H3