4-(9,10-dihydrophenanthren-2-yl)butyl 4-methylbenzenesulfonate

Systemtic Name: 4-(9,10-dihydrophenanthren-2-yl)butyl 4-methylbenzenesulfonate Openeye Name: 4-(9,10-dihydrophenanthren-2-yl)butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(9,10-dihydrophenanthren-2-yl)butyl ester IUPAC Name: 4-(9,10-dihydrophenanthren-2-yl)butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(9,10-dihydrophenanthren-2-yl)butyl ester Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC3=C(C=C2)C4=CC=CC=C4CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC2=CC3=C(C=C2)C4=CC=CC=C4CC3

InChI

InChI=1S/C25H26O3S/c1-19-9-14-23(15-10-19)29(26,27)28-17-5-4-6-20-11-16-25-22(18-20)13-12-21-7-2-3-8-24(21)25/h2-3,7-11,14-16,18H,4-6,12-13,17H2,1H3